smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 16909557 DLVIATCTLXYSID-VIZOYTHASA-N 440.329 4.863 10 10 IJCE CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 61052225 XXOMMQQNNWJXRC-UHFFFAOYSA-N 433.552 4.902 10 10 IJCE CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 206256924 CYDCCJCKXKQQPE-CPNJWEJPSA-N 443.546 4.978 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c(Br)c1 380692883 MFOYJHNJOUFROX-QMMLZNLJSA-N 428.418 4.688 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OCc2cscn2)c1 743809281 RFXZRATZNGROAA-UHFFFAOYSA-N 447.354 4.853 10 10 IJCE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 745646196 CAJCSTCBHHNKSY-HXOBKFHXSA-N 443.563 4.625 10 10 IJCE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(Cc2cccc(Br)c2O)CC1 769307284 GIYDYOOTTHMGEH-GOSISDBHSA-N 435.749 4.756 10 10 IJCE C/C(=C/c1ccccc1)CN(C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1642708721 WZOSAMVREPTWDL-BBDWDQMGSA-N 438.527 4.824 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC)N1CCCC1 1705835854 WWKQQSIWXPNKNE-JOCHJYFZSA-N 432.616 4.849 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 1865679740 DMUFPIASYCQHSL-DHDCSXOGSA-N 427.195 4.932 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)Cc2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1868008528 WUGKKVBECVKZFT-QFIPXVFZSA-N 434.411 4.945 10 10 IJCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690726 XQZLAYVHOZGXGH-XMMPIXPASA-N 445.523 4.661 10 10 IJCE CN1CCc2cc([C@H](O)c3cc(NC(=O)OC(C)(C)C)ccc3Br)ccc21 2163068524 INELDHPVNSWTBL-IBGZPJMESA-N 433.346 4.870 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OC(=O)c1cccc(OC)c1 2297500017 DTBXRXJVMMEVMW-UHFFFAOYSA-N 443.546 4.534 10 10 IJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c(OC)c1 2313683372 YLOJDXDPUQNUGA-UHFFFAOYSA-N 431.467 4.980 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1)C(=O)O 2314928946 FFQRNARBETWQOH-SFHVURJKSA-N 427.547 4.951 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3OC(C)C)C2=O)cc([N+](=O)[O-])c1O 2321692222 POHUIXZHYURGFI-UHFFFAOYSA-N 446.506 4.502 10 10 IJCE COc1ccccc1CN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323759513 INZBIVFHRWDONS-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE [N-]=[N+]=N[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349781171 MRCSSICAUXHWAY-LLVKDONJSA-N 435.107 4.719 10 10 IJCE Cc1ccc(CN[C@H](C)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352952904 QNMMSRNCVSFACN-IIAWOOMASA-N 427.383 4.635 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2[C@@H]2C=CC[C@@H]21 14545740 ONEHYVRXEXBBEG-SYSFZUQMSA-N 426.582 4.989 10 10 IJCE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 103564398 BEAHTOBNDAUAKH-JKGLIZDUSA-N 448.548 4.939 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(SCc2cccnc2)cc1 108194795 YUXOCCFXQXDUMK-UHFFFAOYSA-N 435.618 4.857 10 10 IJCE C[C@H](Nc1ccc(I)c(Br)c1)c1ccc(O)cc1O 381844828 RUUZPVKFZNMLGC-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CC1(C)C[C@H](NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)C1 715757302 FUXCJACMGKUTRL-OAHLLOKOSA-N 445.373 4.809 10 10 IJCE Cc1cc(Br)c(O)c(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 781920016 HPPPZYYBLAVTRA-INIZCTEOSA-N 429.358 4.579 10 10 IJCE CCc1cccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872871119 JBNJCILBUZOXRA-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1872956919 SXUATYMCKKDMBY-UHFFFAOYSA-N 426.394 4.955 10 10 IJCE CC[C@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Br)ccc1O 2036184844 MOVUYLXUGMGTEH-FQEVSTJZSA-N 447.373 4.997 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2cccc(Br)c2O)CCC(F)(F)CC1 2201454958 CJGDEQRGWYNRIR-UHFFFAOYSA-N 449.336 4.717 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1 2293509204 QSBMXGSNTSEFCU-UHFFFAOYSA-N 425.517 4.762 10 10 IJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 2294095277 NGDAMMOUBBFTKW-HNNXBMFYSA-N 426.900 4.801 10 10 IJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)cc1C 2313548559 YGMMVUXTCLUMHA-UHFFFAOYSA-N 449.304 4.886 10 10 IJCE CC1(C)CC(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)CC(C)(C)N1 2318683825 INIKPOVJORXDQL-UHFFFAOYSA-N 439.990 4.759 10 10 IJCE Cc1ccc(CN[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c(O)c1Br 2380796548 SYQRWCIREJBQBS-XFQAVAEZSA-N 439.394 4.588 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@H]2CN(Cc2ccccc2)C3)c(O)c1Br 2380812581 XCCCJXNVMSLDFQ-REWPJTCUSA-N 429.402 4.855 10 10 IJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 20071246 KTCDYIGBJPZNQM-NBGIEHNGSA-N 432.476 4.660 10 10 IJCE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118913530 MDUASBVGFDAVFE-RMPHWFMRSA-N 447.620 4.855 10 10 IJCE CC(=O)N1CCN(c2ccc(NC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 1471333071 YNAPWTILQGCLEX-UHFFFAOYSA-N 444.579 4.632 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 1672621909 DXDRHNANSCTZSX-AWEZNQCLSA-N 432.362 4.779 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917469 QPBGGAOVKIVVSP-HNNXBMFYSA-N 428.444 4.816 10 10 IJCE CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422954 XWFUIHADKAUIAJ-UHFFFAOYSA-N 444.491 4.523 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2NCc2c(O)cccc2Br)CC1 2144614085 VXCOIZBGWSISEG-SFHVURJKSA-N 439.394 4.814 10 10 IJCE CNCc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145265958 GMKKONPQQWLDJG-OFNKIYASSA-N 428.418 4.659 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)ccc2O)CC12CCC2 2176859276 AAZHVQWOKSSUCV-HNNXBMFYSA-N 439.394 4.814 10 10 IJCE Cc1ccc(C=C2SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)o1 2293500562 DHHOPODZLPPDEI-UHFFFAOYSA-N 443.572 4.966 10 10 IJCE COc1ccc(C=C2N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1 2296323513 OMPMVDNXNKMPBY-UHFFFAOYSA-N 440.322 4.749 10 10 IJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2297321545 NXVMSMNOTHUIBK-UHFFFAOYSA-N 444.347 4.961 10 10 IJCE N=C1C(=Cc2cccc(OCc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335436 GSJSAMKINPRTOA-UHFFFAOYSA-N 438.512 4.933 10 10 IJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 2297344655 SNDSYQXEZGSKRY-UHFFFAOYSA-N 448.548 4.954 10 10 IJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297531869 KSISOJDEGNKIIS-UHFFFAOYSA-N 444.230 4.623 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl 2321646815 AQHTYIIQAYTRKS-UHFFFAOYSA-N 427.872 4.624 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479729 YHRWLHWQJVJCJD-WOVHNISZSA-N 449.595 4.602 10 10 IJCE CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=N)N12 20114599 NMHNWTLICRVNFD-GHZHVEGCSA-N 447.339 4.649 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(OCc4nc(C5CC5)cs4)cc3)CC2)cc1 56924958 WCJXRWBKTVUBSS-UHFFFAOYSA-N 449.576 4.571 10 10 IJCE CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 96577903 SCYBGBOTJVCPCL-HKWRFOASSA-N 427.957 4.531 10 10 IJCE CCCCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 210875384 FYZRAEDAIKVNSK-SJAUKRLSSA-N 438.568 4.601 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526203067 ISRUSDSYGMKVEG-XMMPIXPASA-N 448.494 4.966 10 10 IJCE COc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1OC 915864298 GZSMLFSNOXEWTM-HXUWFJFHSA-N 430.464 4.863 10 10 IJCE CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1Cc1cccc(C(F)(F)F)c1 1857913763 XLAUUBOSYPHNBX-UHFFFAOYSA-N 432.442 4.518 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(Cl)ccc2O)cc1 1865666701 SSXLMRRNEHRSSH-KGENOOAVSA-N 434.879 4.897 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)c2c(Cl)ccc(Cl)c2Cl)c2nccn2C)cc1 1866010732 VLTLNSMWJYYWLX-SFHVURJKSA-N 437.758 4.966 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)c1ccc(N2CCCC2)cc1 2044756278 JRKYMANGHJLOSU-UPVQGACJSA-N 439.600 4.787 10 10 IJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1Br 2079027186 POTNXRADHCZHKG-QGZVFWFLSA-N 433.346 4.887 10 10 IJCE CC[C@@H](NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2108704426 AXKLZZGTRFZFDZ-ZXYWRSMDSA-N 431.346 4.591 10 10 IJCE CC[C@H](NCC1CC(F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168244989 LZIPXSUVGPQBDR-FOCKTWCOSA-N 445.373 4.838 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC(CN=[N+]=[N-])CC1 2180964840 YCKRFOWGRFWGSC-UHFFFAOYSA-N 438.326 4.959 10 10 IJCE CCOc1c(Br)cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1OC 2297315612 LOIQBXBQRNGYPU-UHFFFAOYSA-N 431.282 4.846 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)SC2=S)cc1 2313507665 ZMUUVDNKLQMWAJ-UHFFFAOYSA-N 449.395 4.930 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352941007 LFFNTVGQZWCKNL-HOCLYGCPSA-N 427.383 4.636 10 10 IJCE COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C 9228888 KJUWCDRKMVSHGK-UHFFFAOYSA-N 441.915 4.864 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1O 20071134 TXMIUOZIVKWGQE-UQBPGWFLSA-N 432.476 4.666 10 10 IJCE CCOC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)o1 33316849 ZKUWHYBGNXQIBX-RGEXLXHISA-N 444.443 4.938 10 10 IJCE CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)ccc21 65026892 MPKALQDYWLIAFL-UHFFFAOYSA-N 427.548 4.649 10 10 IJCE O=C(Cc1ccccc1)NCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 248003647 RSIXCBPGYYLZGG-MUUNZHRXSA-N 438.527 4.500 10 10 IJCE CC1(C)CC[C@H](CNCc2ccc(Br)cc2O)N(C(=O)OC(C)(C)C)C1 686992113 OJOARCFUIBRXKD-MRXNPFEDSA-N 427.383 4.670 10 10 IJCE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)cc2F)C[C@H](C)O1 745649036 XNKTWGROCQJTGE-MSQSPTIYSA-N 429.536 4.715 10 10 IJCE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(Cc2cccc(Br)c2O)CC1 769307287 GIYDYOOTTHMGEH-SFHVURJKSA-N 435.749 4.756 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1705547459 SJFAQSAQCWZSTN-RBBKRZOGSA-N 444.627 4.542 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 1860086626 WRIVMFZKVGBVDU-XSFVSMFZSA-N 440.590 4.648 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc(OC)c1OC 1860087508 CBBFRUMNRHRALQ-QGMBQPNBSA-N 426.519 4.600 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OCC 1872956612 OVPJUUJQNCKQJE-UHFFFAOYSA-N 446.503 4.734 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CC(C)C)C2=O)cc1 1873164250 SCQLESGGTZHGNP-UHFFFAOYSA-N 427.548 4.620 10 10 IJCE CC[C@H](N[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918991845 LMCRKCZLXJQIGL-WMZOPIPTSA-N 439.394 4.985 10 10 IJCE CCC(=O)Oc1ccc(C=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC 2296739204 DMZGKLFFOTZSQA-UHFFFAOYSA-N 432.398 4.836 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 2297366787 MASLKHTWMHYHNX-UHFFFAOYSA-N 441.452 4.834 10 10 IJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 2313683353 XXLLHFOUMKOJSP-UHFFFAOYSA-N 428.448 4.740 10 10 IJCE CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332107611 NCMFNZYGCQWVQO-UHFFFAOYSA-N 429.314 4.664 10 10 IJCE CCCCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CCC(=O)OCC)SC1=S 33395153 WNWJHNBBPFZTKW-IWSCKCOWSA-N 448.635 4.938 10 10 IJCE CCOc1cccc(CNc2ccc(Br)c(I)c2)c1O 380479952 WGUOOKLNQPUKHQ-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526204076 RLWMQOHOCIMQGQ-HSZRJFAPSA-N 448.494 4.966 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1O 1648658082 PJFWDNCZACSZRB-AHRSYUTCSA-N 436.980 4.762 10 10 IJCE CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 1658845644 XYDGVWUXUNMHOZ-LJQANCHMSA-N 443.813 4.811 10 10 IJCE Cc1cccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952773902 BJLWTSJNZWBIQZ-ATIYNZHBSA-N 429.472 4.539 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1cc(Br)ccc1O 2127868731 JEHRMUXOAQBBKB-KRWDZBQOSA-N 427.383 4.670 10 10 IJCE CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 21891947 NTPRSRLWWUBVJT-RUZDIDTESA-N 426.520 4.951 10 10 IJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)cc1 586216329 UMIBNZVKOMMTPU-UHFFFAOYSA-N 439.920 4.721 10 10 IJCE CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586712446 KGUZYWLIQVUXCH-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 1083900675 CHBYUBORWGNNQR-NDENLUEZSA-N 432.863 4.912 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)cs1 1705480608 WUGRGTVPMFFOOF-KRWDZBQOSA-N 430.581 4.624 10 10 IJCE CN(C)c1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1952739453 BTXJGGXKUGTIDS-RPLLCQBOSA-N 442.515 4.591 10 10 IJCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1999536774 OODSLHVUVUTRAY-NMNUPHIUSA-N 427.589 4.512 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163333398 HEJDPPLVACRWTF-FDDCHVKYSA-N 428.418 4.832 10 10 IJCE CC(C)(C)OC(=O)N1C[C@](C)(CNCc2cc(Br)ccc2O)CC1(C)C 2228492822 ALAIQAUJZISYOO-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)O 2314931861 ILLFLRQTCJAGLA-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 16926580 NUACLWQCNNYKLN-VKAVYKQESA-N 431.583 4.970 10 10 IJCE COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(N(C)C)cc2)c(OC)c1OC 36348526 DQXQCPBDOKSXNZ-XMMPIXPASA-N 435.568 4.575 10 10 IJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 208740277 GFLGNGDQCFBPCP-LZYBPNLTSA-N 443.550 4.584 10 10 IJCE COc1ccc([C@@H](C)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(O)c1 705697353 LYJVNPVKOMLTPO-OAQYLSRUSA-N 432.564 4.523 10 10 IJCE Cc1c(C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cccc1[N+](=O)[O-] 1859891852 PJMIEGALNBOCNU-UHFFFAOYSA-N 428.444 4.734 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2)sc(C)c1-c1ccc(C)cc1 1860748926 OHXUZCRIAWURIN-UHFFFAOYSA-N 444.459 4.674 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(F)cc1 1860759539 VKKXFTBARWYDJX-SUMWQHHRSA-N 446.544 4.673 10 10 IJCE O=C(CCOc1ccc2c(c1)CCCC2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865783197 ZQIGJAISOQVCCZ-UHFFFAOYSA-N 425.484 4.748 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)cc1 1865970070 CCNPGWXKWYAFDI-ZDUSSCGKSA-N 432.542 4.670 10 10 IJCE CSC1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=N)N12 2297333754 NMHNWTLICRVNFD-UHFFFAOYSA-N 447.339 4.649 10 10 IJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 2297468120 MBIOVECIVXKYJV-UHFFFAOYSA-N 427.530 4.563 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2313681375 CPHSPLQENOQBEV-UHFFFAOYSA-N 446.551 4.794 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N([C@H](C(=O)OC)c2ccccc2)C1=O 2314767267 FRHUJJXZSMSVJQ-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837838 XIPUAZXNLVWCJN-INIZCTEOSA-N 438.618 4.890 10 10 IJCE Cc1ccc(CNC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c(O)c1Br 2352677537 BBPDZOUFAMNHSW-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1 33317534 XWOXZEHXZDUXPD-WMUNWQNWSA-N 434.521 4.693 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(SC)cc1 33332210 FDDLKAZMOAZHHN-GZTJUZNOSA-N 429.925 4.948 10 10 IJCE CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(N(C)C)cc2)s1 35003436 JDENPOXGXMLPOF-LJQANCHMSA-N 446.532 4.584 10 10 IJCE CC(C)CN1C(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccc(N)cc3)cc2C1=O 217279649 DJFACVGHDLSMGG-UHFFFAOYSA-N 428.492 4.891 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526278976 GSQDEVXDIGUPGQ-HSZRJFAPSA-N 445.471 4.640 10 10 IJCE COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 1860084446 YRUBNJZKQRYRQT-GIJQJNRQSA-N 433.938 4.834 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@H](N)C(C)C)sc(C)c1-c1ccc(Br)cc1 1865915522 JTBARKDCKYUAQA-MRXNPFEDSA-N 439.375 4.585 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cccc(Cl)c4)cc3)CC2)cc1 1872873788 IPCAMLWSYAUCOP-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE COc1cccc(Cn2nc(C(C)(C)C)c(C3(C)CC3)c2I)c1O 2079772089 UNONSTABZLJRFO-UHFFFAOYSA-N 440.325 4.599 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNCc1cc(Cl)cc(Br)c1O 2087518746 FWCLZOJYPSUBLC-BLLLJJGKSA-N 447.801 4.981 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 2105945043 PQUYZIHTGBSMKA-CYBMUJFWSA-N 447.801 4.933 10 10 IJCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CNC2CC2)cc1Br 2153292800 TTXFUWQXSDGMCY-GOSISDBHSA-N 428.418 4.802 10 10 IJCE CCCCOC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S 2314739961 CIZKSMMTFWRQOO-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE Cc1ccc(CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(O)c1Br 2380793491 RVRJAEBPQQRYEM-QHCPKHFHSA-N 429.402 4.951 10 10 IJCE CC1(C)CC[C@@H](CNCc2ccc(Br)cc2O)N(C(=O)OC(C)(C)C)C1 686992112 OJOARCFUIBRXKD-INIZCTEOSA-N 427.383 4.670 10 10 IJCE C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 708173910 ZLZJPSBUVLWXSP-BXUZGUMPSA-N 433.774 4.686 10 10 IJCE c1ccc(Cc2nc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)no2)cc1 731563495 BHHBZLHHMVEKKR-FQEVSTJZSA-N 432.549 4.995 10 10 IJCE Brc1cccc(CN2CCC(NCc3ccc(N4CCCC4)cc3)CC2)c1 1178944017 AHYUODBSBOXUOG-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)ccc1N1CCCCC1 1308403427 DILKREVRWGHUFD-XMSQKQJNSA-N 430.390 4.844 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)[C@H]1C[C@H]1C 1624790014 ZCWFOZXVENMFGL-QUGAMOGWSA-N 443.547 4.849 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl 1860083867 AQHTYIIQAYTRKS-IZZDOVSWSA-N 427.872 4.624 10 10 IJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)c1 1860087542 FTBBZRHFJXOQHC-RCCKNPSSSA-N 440.590 4.716 10 10 IJCE CCOc1cccc(CNCC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1O 1860718442 RNJQFUQPYCXHMK-UHFFFAOYSA-N 440.927 4.752 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cccc([N+](=O)[O-])c2)cc1 1865676621 HDVDJBWWOUPSPP-KGENOOAVSA-N 431.423 4.573 10 10 IJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873164503 FJWDKEONWFHMQD-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2)c1 1892106277 MBQYQXIOCUJMBZ-UHFFFAOYSA-N 443.462 4.904 10 10 IJCE CN(CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-])Cc1ccccc1 2095882220 VSXIMMMOAXTEGT-UHFFFAOYSA-N 445.519 4.831 10 10 IJCE CC(C)[C@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2126371728 LKLHAJKMXYOUFB-HOTGVXAUSA-N 447.801 4.932 10 10 IJCE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2)c(C)c1 2297313899 JLGAMUWZIDMDHH-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 2297463187 NZHLTNQWTJZNRT-UHFFFAOYSA-N 435.553 4.830 10 10 IJCE C[C@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccncc3)S2)C1 2314457894 MNDGJGRTRLPDKC-KRWDZBQOSA-N 429.549 4.637 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2332114957 HOXOKGPVBHVTSE-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE Cc1ccc(CNC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(O)c1Br 2380813702 ATOXKEZHHFBFRM-ZKTXZKFHSA-N 429.402 4.996 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14476178 JMHCKZSHYMVIMQ-YDIMBITNSA-N 433.508 4.999 10 10 IJCE CCOc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc(Br)c1OCC 16044726 BVJRDEVPNJLDCF-WJDWOHSUSA-N 439.375 4.749 10 10 IJCE O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1CCSc1ccc(Cl)cc1 729688078 BSHAFEMCEVJXAT-BOPFTXTBSA-N 431.995 4.981 10 10 IJCE C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)c1ccc(N)cc1 789752833 TYQDAJTYHKZPDQ-KRWDZBQOSA-N 432.524 4.821 10 10 IJCE CCN(CC)CCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858589055 GEEQHZOPXPAKOU-RVDMUPIBSA-N 431.396 4.521 10 10 IJCE CCCCCOc1c(Br)cc(/C=C2\C(=O)N(C)N=C2C(F)(F)F)cc1OC 1865667735 NCEKCTMJVLQHGE-WQLSENKSSA-N 449.267 4.800 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NCc1c(O)cccc1Br 1924834056 ARNNLUDANVXTTJ-KDOFPFPSSA-N 439.394 4.718 10 10 IJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1c(O)cccc1Cl 1951843202 LSZSUBKRCANXHC-DEOSSOPVSA-N 437.879 4.884 10 10 IJCE COc1ccc(OC)c(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 2313683307 WWKVSXBSHLLKTM-UHFFFAOYSA-N 431.467 4.980 10 10 IJCE O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1C1CCN(Cc2ccccc2)CC1 2323879708 XFUWREYSJAPOAU-UHFFFAOYSA-N 430.545 4.831 10 10 IJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O 2332134129 NBGSXDFHHKNKEE-UHFFFAOYSA-N 426.472 4.564 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140112 CRABABPBJQPXHW-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Br 2352946553 AQGISYRTWFFNDY-OFQRWUPVSA-N 427.383 4.587 10 10 IJCE CC(C)Oc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br 33442111 PGADWBXQAGHHTF-DHDCSXOGSA-N 447.260 4.882 10 10 IJCE Cc1cccc2cc(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(N3CCOCC3)nc12 208278801 PWVJJRHIUIMDAW-XMHGGMMESA-N 441.622 4.627 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S)Nc1nccs1 210688339 BOLDMEZJEVPWBN-SFQUDFHCSA-N 437.571 4.650 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(OCCNCc2cc(Br)ccc2O)cc1 382833027 MZJCBRZRQRQMEK-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@@H]2c2ccc(O)c(O)c2)cc1 526186004 WPHSYBJXTNYVSW-XMMPIXPASA-N 447.487 4.952 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526340949 GOKZJDBISBFBJO-XMMPIXPASA-N 447.487 4.951 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1519155960 KFWKNKLIYFDRLO-INFVRCAFSA-N 434.458 4.703 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1cccnc1 1858589223 RRKGFSCVPSVACC-WLRTZDKTSA-N 441.759 4.605 10 10 IJCE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1 1858681422 FAVYZWHVJJXZDB-UHFFFAOYSA-N 434.496 4.635 10 10 IJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(C)cc4)sc3C)ccc21 1859570302 BHGQWNIUBTXFFT-UHFFFAOYSA-N 441.578 4.527 10 10 IJCE CCCOC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871232569 ITMKZPVSXFRHAH-UHFFFAOYSA-N 435.524 4.556 10 10 IJCE COc1ccc(N2CCN(c3nc(Nc4ccccc4C(C)C)ncc3[N+](=O)[O-])CC2)cc1 1871311032 RANGNMRAGBGESX-UHFFFAOYSA-N 448.527 4.587 10 10 IJCE CCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166379 OBHOKFCGJGNZPZ-HSZRJFAPSA-N 449.595 4.523 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NCc3cc(Cl)cc(Br)c3O)(C2)C1 2116629237 JXBVWZHZPMMNQX-HXPMCKFVSA-N 445.785 4.687 10 10 IJCE O=C(O)CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1 2293490527 UIIJASIGXUOSED-UHFFFAOYSA-N 444.443 4.686 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccccc1 2314827709 KRCLJPWDKVOYHY-UHFFFAOYSA-N 447.379 4.679 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932491 MXEVIOLOZJTFOX-ZDUSSCGKSA-N 443.546 4.515 10 10 IJCE CCCCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2C(F)(F)F)cc1OC 2332115029 NCEKCTMJVLQHGE-UHFFFAOYSA-N 449.267 4.800 10 10 IJCE CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 14480648 RJDMCEDGSYFWKP-SXWKCWPCSA-N 426.582 4.989 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@@H]21 20702864 ZWZDGFFOLZEJFV-KHCICDEESA-N 434.536 4.977 10 10 IJCE COc1ccc(N(C)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 59378477 XROMRAOXSBZUFN-BOPFTXTBSA-N 449.395 4.753 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 104220417 NUVNVFJFPNFBMF-LTGZKZEYSA-N 426.607 4.985 10 10 IJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226737354 IDUXWXBPJPSBTQ-QTEQDKRBSA-N 439.537 4.596 10 10 IJCE CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@@H]2c2ccc(N(C)C)cc2Cl)cc1 248109990 JXGRTJXPKRJZTO-REWPJTCUSA-N 427.976 4.956 10 10 IJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 526185158 QAGQJKMJAGBVJM-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1 526377389 JOGHBKHREHYXBS-XMMPIXPASA-N 447.487 4.951 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 1860086776 GTUSMUQOSRTDOW-LICLKQGHSA-N 428.491 4.566 10 10 IJCE CCCC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)CC1 1860626073 KYMGQPQUMAETEZ-UHFFFAOYSA-N 442.581 4.796 10 10 IJCE CC(C)N(C(=O)CCNCc1cc(Cl)cc(Br)c1O)c1ccccc1 1860715161 OHKMXGMKRJCKRJ-UHFFFAOYSA-N 425.754 4.729 10 10 IJCE CCCOc1c(Br)cc(/C=C2\C(=O)N(CC)N=C2c2ccccc2)cc1OC 1865667742 NMHJRPPSBDPROX-ATVHPVEESA-N 443.341 4.896 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675320 AWKWWNNHUJYOEO-FYJGNVAPSA-N 432.863 4.881 10 10 IJCE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 2049137160 DGPNGMYFMILPQG-LBPRGKRZSA-N 435.790 4.933 10 10 IJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1N 2079954227 JKUISGYPOKRJOZ-INIZCTEOSA-N 427.330 4.590 10 10 IJCE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 2093493663 RZWNOSBILAFSDV-BLLLJJGKSA-N 447.801 4.933 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)cc1Br 2151077098 VYMPFBBUFHHMCH-SBUREZEXSA-N 428.418 4.960 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1C 2294229413 RKLVZRIKFLYBES-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2296711213 CODMQALNUOOLQA-UHFFFAOYSA-N 439.400 4.577 10 10 IJCE COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1=Cc1cc(C)n(-c2ccc(F)cc2)c1C 2297361882 AFHDAYSQBMTACC-UHFFFAOYSA-N 445.494 4.501 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc2c1C(=O)c1ccccc1C2=O 2297604854 NTRBABGKYGPGTQ-UHFFFAOYSA-N 435.483 4.797 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2314827700 KMOXHAZIGIAZGP-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE O=C1C(=Cc2ccsc2)SC(=S)N1c1ccc(I)cc1 2321616807 CEYNLCKZONZKAZ-UHFFFAOYSA-N 429.329 4.759 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470840 VHSMKPIQVKBGQU-QYWGDWMGSA-N 447.944 4.761 10 10 IJCE Cc1ccc(S(=O)(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 586210924 ACTCGOGABIAXCS-UHFFFAOYSA-N 433.529 4.683 10 10 IJCE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)[C@H]2C 800719215 IBPPXKDQPKKMQE-SJORKVTESA-N 445.011 4.578 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1cccc(Br)c1O)C2 1922301845 PKXXXOAGKMCTIX-HOTGVXAUSA-N 425.367 4.565 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NCc1cc(Cl)cc(Br)c1O 1966018573 KPKUBSLNUFYWHO-BMFZPTHFSA-N 445.785 4.686 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(N)c2I)cc1C 2079999583 XKDNUOYXAOQEIF-GOSISDBHSA-N 439.341 4.905 10 10 IJCE CC[C@H](NC[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104259447 DWMNOJNWMMIONW-VBQJREDUSA-N 427.383 4.841 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2186713658 XIQJBJWRSCJMKK-AUUYWEPGSA-N 443.307 4.756 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 2314765115 VBMWLSCHFWDNRS-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(O)c1 33436518 PVPUHJADUOWRBY-UDWIEESQSA-N 428.579 4.648 10 10 IJCE CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1c(C)ccc2nsnc12 101123421 NBASFPFJZRBMCQ-NTEUORMPSA-N 442.342 4.789 10 10 IJCE COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C\c3cccnc3)S2)cc1 206378146 VAFRORNHQGEVGV-ZZAWEDPDSA-N 440.528 4.912 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526168890 JQXAHXJYFXKXKJ-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CNCc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 714993575 SOVLRPXQFITAKG-RBBKRZOGSA-N 428.418 4.659 10 10 IJCE CC(=O)c1cc(F)cc(CN(C[C@H](O)COc2cccc3ccccc23)C(C)C)c1O 1657201731 RWWVPTNCMAMOKM-NRFANRHFSA-N 425.500 4.537 10 10 IJCE Cc1ccc(-c2nc(=Nc3cccc4c3C(=O)c3ccccc3C4=O)c3c([nH]2)CCC3)cc1 1859832728 IZYRCNIEPZHHML-UHFFFAOYSA-N 431.495 4.882 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(OC(F)(F)F)cc2)C1=O 1860087657 MJCBEWBGFIQQER-XNTDXEJSSA-N 435.452 4.947 10 10 IJCE CCOC(=O)CN(Cc1ccccc1)Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1872883859 ANSMEJOTRXCALJ-UHFFFAOYSA-N 445.563 4.570 10 10 IJCE Cc1nn(Cc2ccc(Br)cc2O)c(I)c1C(C)(C)C 2079629701 DRDNMFZKNHAZMA-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2090351208 WJNFPWPMMFOOAB-JSGCOSHPSA-N 441.288 4.651 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CC2(CC2)C1 2098584684 IJHNIMHYWNVDSU-AWEZNQCLSA-N 445.785 4.687 10 10 IJCE O=C1C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC(=S)N1N1CCOCC1 2314490319 XDZXFHOUZLJERV-UHFFFAOYSA-N 441.361 4.702 10 10 IJCE CCOc1ccc(C=C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2322810121 ZAJYJJVMOJODHW-UHFFFAOYSA-N 442.559 4.983 10 10 IJCE CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(Cl)c(Cl)c4)nn3c2=O)cc1 2326137596 JZQLLCQQHGEFKS-UHFFFAOYSA-N 445.375 4.519 10 10 IJCE Cc1ccc(CN[C@@]2(C)CCCN(C(=O)OCc3ccccc3)C2)c(O)c1Br 2327618990 PRRIRLXJHYPYMM-QFIPXVFZSA-N 447.373 4.744 10 10 IJCE Cc1ccc(CNCC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381137210 MFYXOCVGPRJFEX-CQSZACIVSA-N 449.336 4.588 10 10 IJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CCCC3)CC2)cc1 15727898 PHVULZQZCGLXOW-UHFFFAOYSA-N 447.535 4.533 10 10 IJCE CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2cc(OC)ccc2OC)cc1 96642896 DKMSIQUESJXYHS-UHFFFAOYSA-N 435.568 4.669 10 10 IJCE CC(C)[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc2nc(O)oc2c1 774467251 QXSXFARXTSJDAF-RUZDIDTESA-N 434.584 4.552 10 10 IJCE C=COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1524973094 UGWDFASTBYLANO-AQTBWJFISA-N 428.510 4.578 10 10 IJCE COc1ccc(N2CCN(c3cc(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)nc(C)n3)CC2)cc1 1867987205 BSAVHYYOBGHSMB-RLWLMLJZSA-N 435.616 4.525 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 1912306040 DWXXQYDYJQDETN-JSQNDZKTSA-N 425.367 4.593 10 10 IJCE CCOC(=O)C(=Cc1cnn(-c2ccc(Cl)cc2)c1)c1nccn1Cc1ccccc1 2042452840 RXOIRJFPQNQPON-UHFFFAOYSA-N 432.911 4.874 10 10 IJCE Oc1c(F)cccc1Cn1nc(C2CCC2)c(C2CCC2)c1I 2079834304 GJZZPPNYBLTRMB-UHFFFAOYSA-N 426.273 4.916 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccc(Br)c2O)CC1(C)C 2115821723 WQOZXHKOFSNCBP-CQSZACIVSA-N 427.383 4.670 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1cc(Br)cc(F)c1O)c1ccccc1 2179679861 RSJMAJCTNFDTDA-KRWDZBQOSA-N 439.325 4.649 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=O)NC2=S)cc1 2294259077 GZJZLUIRNBLDTH-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE O=C1NC(=S)SC1=Cc1ccccc1OCCOc1ccc(Cl)cc1Cl 2297358625 DQSGZWHYHAGWKZ-UHFFFAOYSA-N 426.346 4.940 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314842336 PTAMRDKFAMBGSO-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc(OC)c1OC 2332115053 OPDMDPYQOIPQEF-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O 33339851 YKFHHFLMIQNQAY-OBHNZGETSA-N 429.592 4.628 10 10 IJCE COC(=O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 40937987 PBCAKIFCDFFCGN-LDADJPATSA-N 447.965 4.683 10 10 IJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(Nc2nccs2)c1 96521022 HKSDXXBUWUVZDO-UHFFFAOYSA-N 425.469 4.914 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F 210694903 QBHYYLPDOXJLCJ-FOWTUZBSSA-N 436.480 4.935 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526237060 SZUQGSYSOLZUNE-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE Cc1oc2c(CN3CCO[C@@H](C(F)F)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl 800853087 LKUGLCSDIJOGQS-GOSISDBHSA-N 435.854 4.593 10 10 IJCE Cc1nccc(CNC(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1 918020093 GAPPRFZRXSVLGA-FQEVSTJZSA-N 443.473 4.780 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4Cl)n4ccccc34)CC2)cc1 1858355060 QYEOBYPAQOXVNR-UHFFFAOYSA-N 446.938 4.626 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 1860076631 QZAKEQMWNLZRKK-CPNJWEJPSA-N 443.546 4.676 10 10 IJCE Clc1cccc(N2CCN(/N=N/c3ccc(I)cc3)CC2)c1 1860484295 GOURGMGFGODZJG-FMQUCBEESA-N 426.689 4.766 10 10 IJCE CC[C@@](C)(NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020412 AJNHQMZTJTUWPL-RKOGDMNLSA-N 446.547 4.512 10 10 IJCE COC(=O)c1[nH]c2cc(OC)ccc2c1C=C1SC(=S)N(c2cccc(F)c2)C1=O 2296621172 MJKYXUREXPWFEI-UHFFFAOYSA-N 442.493 4.508 10 10 IJCE CC(=O)Oc1ccc(C=C2SC(N(C(C)=O)c3ccccc3C)=NC2=O)cc1Cl 2297366051 WTGDICFOIZBLQM-UHFFFAOYSA-N 428.897 4.597 10 10 IJCE Cc1ccc(CNCCCCCNC(=O)OCc2ccccc2)c(O)c1Br 2307476883 GKWARMMLIJGGMI-UHFFFAOYSA-N 435.362 4.649 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1OC 2321643942 DWAUYPCXOGXELV-UHFFFAOYSA-N 430.507 4.716 10 10 IJCE Cc1ccc(CNCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352933187 XFJCEDCRXOIFKW-MRXNPFEDSA-N 427.383 4.732 10 10 IJCE Cc1ccc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)c(O)c1Br 2381139869 BYYHJKAMVQFUGY-UHFFFAOYSA-N 429.402 4.951 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(C)C 40927820 LXTWQSJBFVOGBD-AQTBWJFISA-N 437.583 4.719 10 10 IJCE CN(C1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1)c1ccccc1C(=O)O 208345794 YJRVTSDLVIRCQS-UNOMPAQXSA-N 449.444 4.660 10 10 IJCE COc1ccc(N2C(=O)/C(=C/C=C\c3ccccc3[N+](=O)[O-])SC2=S)c(OC)c1 210229198 FLFWXFAYIHVKKZ-POMSFESFSA-N 428.491 4.574 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(Oc4cc(C)ccn4)c3)CC2)cc1 743214254 DPVTWDMLXKHBJP-UHFFFAOYSA-N 432.524 4.853 10 10 IJCE CC1(c2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)no2)CCCC1 789749358 NUJRBJJKHNCRPK-UHFFFAOYSA-N 425.529 4.512 10 10 IJCE Brc1cc(CN2CCN(CCc3cccs3)CC2)ccc1N1CCCCC1 1658991611 YUIIZALWZSIYQM-UHFFFAOYSA-N 448.474 4.861 10 10 IJCE COc1ccc(C)cc1S(=O)(=O)N(CCc1c[nH]c2ccccc12)c1ccc(N)cc1 1857991399 DFGXOJAVFYKHIJ-UHFFFAOYSA-N 435.549 4.505 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NCc1cc(Br)ccc1O 1924818065 NHOOHWVQZBAKGH-KDOFPFPSSA-N 439.394 4.718 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(CN)c1I 2079997377 BQURNQQYHAWUMJ-MRXNPFEDSA-N 439.341 4.536 10 10 IJCE COc1ccc(CNCc2ccc(Br)cc2O)cc1NC(=O)OC(C)(C)C 2284168916 GUZWEDDAHLIMAE-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2295914218 RBOAQQXBDLTPHZ-OAHLLOKOSA-N 438.357 4.891 10 10 IJCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)N2CCCCCC2)cc1 2296417294 RFSKSWFLZKBTAR-UHFFFAOYSA-N 425.960 4.580 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c(C)c1 2313562091 CYHJMTCXIPYBGX-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381136699 IJMXJDRHQPBCPD-CVEARBPZSA-N 439.394 4.636 10 10 IJCE Cc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)c(C)c1 1250419 SIKQZLGLUFCEFM-FOCLMDBBSA-N 445.363 4.794 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 13643790 WUISBDGWKZDSKW-FBLLAGFSSA-N 437.609 4.754 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)ccc1O 16926487 BMRNLVPPHNNCHN-JXAWBTAJSA-N 437.583 4.807 10 10 IJCE Cc1ccccc1COc1cccc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1 102468898 YGKQUTIVGRHFSC-DMNVVODESA-N 442.500 4.834 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 206843870 QSEJTNTWRIZVKX-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNCc1cc(Cl)cc(Br)c1O 708074126 ZEOYLVUGQJHDBI-CQSZACIVSA-N 433.774 4.687 10 10 IJCE CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)C1=O 1865667041 BBTFGUGOSFAKKC-JXAWBTAJSA-N 432.442 4.871 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc(Br)c1O 1865667138 GXIUZMQVYVUYLT-RQZCQDPDSA-N 429.314 4.664 10 10 IJCE CN(Cc1ccc(CNCc2c(O)cccc2Br)cc1)C(=O)OC(C)(C)C 1912994888 NUCLVTXIRWIJGT-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=S 2040867084 ZHUOVFXBENXOMC-GOSISDBHSA-N 435.526 4.844 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079002140 CJTAWYMJTYRLPU-QGZVFWFLSA-N 440.325 4.507 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280278870 SPGNRANZRJKHEU-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCC)C1=O 2314414643 HJUPHFFIBWHMEI-UHFFFAOYSA-N 444.626 4.606 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OCC)c2)SC1=S 2314767930 JBAMFTZQSOCPOD-LJQANCHMSA-N 427.547 4.591 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cccc(O[C@@H](CC)C(=O)O)c3)SC2=S)cc1 2314930395 CMTQTWSQRMKMSC-SFHVURJKSA-N 427.547 4.897 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1 2321710533 UCYKEAXZNXDVLO-UHFFFAOYSA-N 433.514 4.986 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 2323758594 OBVHINSHLCYYHU-UHFFFAOYSA-N 443.546 4.614 10 10 IJCE COc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1O 2332100004 BANZWYBZOWPLAQ-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE Cc1ccc(CN[C@]2(C(C)C)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380794613 BXLCDRBVIBUWIE-OAQYLSRUSA-N 441.410 4.978 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(CC)CC)cc3[C@H]3C=CC[C@@H]32)cc1 14480627 LZBGWCPKNWUDGE-HFMPRLQTSA-N 426.582 4.942 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCN(CC)CC)cc2[C@H]2C=CC[C@H]21 14545839 UKTCLNORPPXGHZ-LZCXECNNSA-N 433.596 4.983 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 20752283 GVEMRVDDAMXAFQ-YPCDYVTLSA-N 426.516 4.844 10 10 IJCE COc1ccc([C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c2nccn2C)cc1 29813984 FAXZZERTVDXINW-XMMPIXPASA-N 428.536 4.664 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526351940 CBJFTJOFRKLVCQ-QHCPKHFHSA-N 446.478 4.736 10 10 IJCE Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1-c1cccc(Br)c1 728538024 HPPLWKNXTVHVBV-LJQANCHMSA-N 427.346 4.530 10 10 IJCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1293117343 UADPGIITCCJDGN-SANMLTNESA-N 449.595 4.550 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 1865654277 OAHCDVRLSZXHLJ-KOEQRZSOSA-N 425.532 4.900 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865676098 PTSFTSCWSYKICL-CAPFRKAQSA-N 441.487 4.896 10 10 IJCE O=C(NCCNCc1ccc(N2CCCC2)cc1)OCC1c2ccccc2-c2ccccc21 1978829663 FJTOUEHVZHTXSS-UHFFFAOYSA-N 441.575 4.915 10 10 IJCE CNCc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145265959 GMKKONPQQWLDJG-REWPJTCUSA-N 428.418 4.659 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306846 MSSMZGSJBRIDSS-WZONZLPQSA-N 428.418 4.961 10 10 IJCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(Br)cc1 2293175846 IHHGQOUISHSSAZ-UHFFFAOYSA-N 442.309 4.725 10 10 IJCE Cc1ccc(CNC[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2380811891 PQIRUPGCGIBAQU-MRXNPFEDSA-N 439.394 4.590 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(Cl)cc1 15039397 NQJFZEXYDXAZLD-ATVHPVEESA-N 432.954 4.666 10 10 IJCE COc1ccccc1[C@@H](NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C)c1nccn1C 25519490 UKAMNIVGEQKYLE-ZUSJUXBOSA-N 440.547 4.755 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C(\C)c2ccc(Br)cc2)S1 39870213 MZKNPKFDGQWOAV-WJDWOHSUSA-N 431.311 4.708 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 721929200 JLRRDBJEVJIJTJ-DOTOQJQBSA-N 427.383 4.841 10 10 IJCE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)cc21 787590530 PFJCXNAJTZMNQV-UHFFFAOYSA-N 425.448 4.531 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 1467189327 YOBAGNIWRMDBPE-UHFFFAOYSA-N 430.346 4.916 10 10 IJCE CC[C@H](C)N(C(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859916573 AVWSXSRMRLRABQ-KRWDZBQOSA-N 427.500 4.845 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 1860085055 IZCOBYJPSMIUCX-FYJGNVAPSA-N 442.606 4.951 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1865872763 WDDUMDPHOCKUCT-UHFFFAOYSA-N 428.319 4.535 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cccc1F 1952824941 XAZHXXVYGRUOBY-NTKDMRAZSA-N 447.462 4.928 10 10 IJCE CC(C)C[C@H](CNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 2057058754 KAGKXECNCDOICB-CQSZACIVSA-N 435.790 4.837 10 10 IJCE C[C@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2152789179 HCZREIIIKJUMQA-INIZCTEOSA-N 438.360 4.816 10 10 IJCE C[C@@H]1C[C@@H](N(C)c2ccc(CNC3CC3)cc2Br)CN1Cc1ccccc1 2154841018 WCWPNMAAKQSMAB-DYESRHJHSA-N 428.418 4.800 10 10 IJCE CCCCN(C)C[C@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2297359310 IFSFJGUUHNSKEH-QHCPKHFHSA-N 444.579 4.540 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)c1 2321717890 FJXGJGIXCXDUSN-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE Cc1ccc(CNC[C@H]2CCCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2380797070 WNFZQDNBXZVUBD-INIZCTEOSA-N 441.410 4.980 10 10 IJCE CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C)c2C)C(=O)N=C1O 59860542 YANWPJCHQPZPEP-WJDWOHSUSA-N 443.297 4.971 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(OC)c1 96572568 RIKZNSVYMMYTKW-PDGQHHTCSA-N 427.888 4.702 10 10 IJCE CNC(=O)Nc1cccc(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)c1 586643582 NABWFLJAFSAGLB-UHFFFAOYSA-N 437.521 4.822 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3cccc(Br)c3O)CCCCC[C@H]12 2153951224 WIBKNGRESPCRTA-LAUBAEHRSA-N 439.394 4.957 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc2c1OCO2 2297365978 SCALKZHHUDTLKW-UHFFFAOYSA-N 439.436 4.849 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S 2318684265 WWZOPOZYTQANOT-OAHLLOKOSA-N 437.464 4.603 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)OCc1cccc(Cl)c1 8705747 UAIXUEHNMZTSIT-BOPFTXTBSA-N 435.929 4.814 10 10 IJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCCCOc1ccccc1 35190583 BUYCAJNFWMFHDV-XLNRJJMWSA-N 448.906 4.649 10 10 IJCE O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1ccccc1[N+](=O)[O-] 59397057 JYADOJJFUXFICM-XFFZJAGNSA-N 427.326 4.825 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)cc1 526163122 IYEKNOHGBDSKNK-DEOSSOPVSA-N 440.455 4.712 10 10 IJCE C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(N)cc1 783485203 HOETUVWTYJQDMY-FQEVSTJZSA-N 442.563 4.992 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 1084568799 QWMUDQQFZYSKQV-JCMHNJIXSA-N 427.504 4.720 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)CC1 1858591524 RKJCMFWEXMCZNZ-XMHGGMMESA-N 426.563 4.662 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1OCC 1860086968 SEPIAIICXJJAHE-DEDYPNTBSA-N 428.579 4.956 10 10 IJCE FC(F)(F)c1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 1860484445 NAWRESIFUFQTCB-OCOZRVBESA-N 426.826 4.904 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OC 1860825117 NPCQAOXSXHVWET-XDHOZWIPSA-N 443.546 4.584 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872956926 UBELRONICKEHGC-UHFFFAOYSA-N 429.520 4.783 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(N)c2I)C(C)(C)C)cc1C 2079979929 WOUMTZRDHIKPOU-KRWDZBQOSA-N 439.341 4.905 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 2296661288 FWWAICFTVYRUNN-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 2296880027 RCMNXFIDSYWFIK-UHFFFAOYSA-N 426.563 4.542 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=CNc1c(C)nn(-c2ccc(C)c(C)c2)c1C 2313547835 DDKAOXGOVOOZML-UHFFFAOYSA-N 443.507 4.523 10 10 IJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O)C(=O)O 2314932048 SUSQXXKWWRBSHV-SNVBAGLBSA-N 437.901 4.737 10 10 IJCE O=C1C(=Cc2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 2332097975 KZDOZNQJRCLQSX-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE Cc1ccc(CNC[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c(O)c1Br 2352685896 HMPGKMHTDJMFAE-OAHLLOKOSA-N 429.399 4.740 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@@H](CN2Cc2ccccc2)C3)c(O)c1Br 2381131684 QVRLVTDTFAVYSB-XXBNENTESA-N 429.402 4.998 10 10 IJCE Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381136700 IJMXJDRHQPBCPD-HOTGVXAUSA-N 439.394 4.636 10 10 IJCE COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)c1 20070995 DDQDXBMZGSZJRQ-CJFMBICVSA-N 432.476 4.660 10 10 IJCE Cc1nn(Cc2ccccc2)c(C)c1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 59858816 LOLWPNXROACYQC-UDWIEESQSA-N 434.883 4.708 10 10 IJCE O=C1C(O)=C(c2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(F)c(F)c1F 526619895 VMBUXLFNUTZWED-FQEVSTJZSA-N 431.341 4.711 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 708099498 PXMMIDIQOWMRQT-STQMWFEESA-N 447.801 4.933 10 10 IJCE Cc1cc(C(=O)CSc2nc(O)c3ccc(Cl)cc3n2)c(C)n1-c1ccc(F)cn1 1559373225 CCFZJWBFOUYZPD-UHFFFAOYSA-N 442.903 4.905 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)C(C)(C)c2ccc(Cl)cc2Cl)c2nccn2C)cc1 1866225756 ONSNIPYLVHVWJY-HXUWFJFHSA-N 445.394 4.976 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(CN)c1I 2080037751 OCVTZKILIBZZJS-OAHLLOKOSA-N 441.357 4.566 10 10 IJCE Cc1ccc(OCCOCCOc2ccc(C=C3SC(=S)N(C)C3=O)cc2)cc1C 2293358552 IIITXRLLMZBVSY-UHFFFAOYSA-N 443.590 4.609 10 10 IJCE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)cc2)SC1=S 2293374307 HBDRCXAQYCHJAB-UHFFFAOYSA-N 444.534 4.582 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)cc2)SC1=S 2314768965 MUCNVBBHECFCQA-HXUWFJFHSA-N 441.574 4.979 10 10 IJCE Clc1cccc(N2CCN(N=Nc3ccc(I)cc3)CC2)c1 2330185973 GOURGMGFGODZJG-UHFFFAOYSA-N 426.689 4.766 10 10 IJCE Cc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)c(O)c1Br 2380746782 XBPVDNAVLRXGIA-UHFFFAOYSA-N 426.310 4.972 10 10 IJCE CC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1)C1CC1 25771511 VMTQSXKIHRBKKJ-UHFFFAOYSA-N 444.557 4.575 10 10 IJCE Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1 33424272 FIYSTKFJRAUHSI-DHPBROCDSA-N 439.544 4.956 10 10 IJCE C[C@H](N)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705965197 DHYFNECWCYTZEU-JJEOQYAHSA-N 428.418 4.817 10 10 IJCE CC1(C)C[C@@H](NCc2cccc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 710458305 IPJSAWIIUNXHAA-HNNXBMFYSA-N 427.383 4.670 10 10 IJCE Cc1ccc(/C=C\C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C/c3ccc(C)nc3)c2)cn1 754361572 IWWTUHLYZVJRLN-KMUHKHSISA-N 440.547 4.754 10 10 IJCE COc1ccc(C)cc1C1(CN[C@@H](C)c2ccc(Br)cc2O)CCOCC1 756456507 YEQDECNODMVCKR-INIZCTEOSA-N 434.374 4.871 10 10 IJCE C/C(=C\c1ccccc1)CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1658236811 RXYFBTLWHJKLCV-DGDHUYAWSA-N 438.527 4.824 10 10 IJCE CSc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 1860085316 DDGOBUQCZJZCFI-HMMYKYKNSA-N 441.647 4.566 10 10 IJCE CCc1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1861869757 WLYSBMRWCXWCOO-UHFFFAOYSA-N 440.547 4.763 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccccc1O 1901485444 KPHOCMWDCOYZJV-BXKMTCNYSA-N 444.531 4.887 10 10 IJCE CC(C)(C)c1nn(Cc2cc(F)ccc2O)c(I)c1C(F)(F)F 2079718358 SYKIKUCPQVTHHE-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE Brc1cc(CNC2CCC2)ccc1N1CCCN(Cc2ccccc2)CC1 2240010925 PIAPGENOBWXMNF-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE C[C@@H](CCNCc1cc(Cl)cc(Br)c1O)CCNC(=O)OC(C)(C)C 2256654141 NDDZZHZYQAINEX-LBPRGKRZSA-N 435.790 4.839 10 10 IJCE O=C(O)c1cc(-c2ccc(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl 2293287935 ZQEFZKJGUJIKLG-UHFFFAOYSA-N 440.814 4.530 10 10 IJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 2297470715 YNEHCJMBURYDNB-UHFFFAOYSA-N 437.594 4.986 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OCC 2323789890 FLUQXPJFZCXKHC-UHFFFAOYSA-N 448.654 4.994 10 10 IJCE COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C 9228658 AXNWZBIXHZJHIU-UHFFFAOYSA-N 441.915 4.864 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 12499934 CYKGJFSILYVMNQ-IUXPMGMMSA-N 441.530 4.786 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCCC(=O)O 16920049 MGRQTUZHPPEHJX-XSFVSMFZSA-N 440.521 4.584 10 10 IJCE COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 33468398 VJXQGQXLUJQAEQ-NFECSFHCSA-N 426.310 4.883 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226777621 UOSMDAFBLHQGFX-MBOZVWFJSA-N 433.371 4.526 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526245149 CCJQXNSEQCKQOW-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCc1ccc(S(=O)(=O)N(CC(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586240272 RWODRYJHPKLLHI-UHFFFAOYSA-N 447.556 4.876 10 10 IJCE C[C@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 705901363 QLJWYUANGWWLEJ-RTFZILSDSA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)C12CCCC2 715771842 VIEFIVOAZGCYNX-INIZCTEOSA-N 443.357 4.706 10 10 IJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1705509057 BCLFJSNQRZDOIQ-NHCUHLMSSA-N 431.584 4.770 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1O 1860084021 LFLFERWATXTQLF-OVCLIPMQSA-N 436.898 4.758 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)c1 1860085698 UWWIYTINTVVEGI-VIZOYTHASA-N 425.865 4.811 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2)sc(C)c1-c1ccccc1 1860760257 XWKFYXAYYOEIHY-HNNXBMFYSA-N 436.533 4.716 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H](C)[C@H](C)C(=O)NC2CCCC2)sc(C)c1-c1ccccc1 1866230642 OIZKNWLCAOJFQI-GJZGRUSLSA-N 442.581 4.780 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1C1CC1 1886010885 XOHZYEFGZYSNFF-HOTGVXAUSA-N 445.785 4.686 10 10 IJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080053309 HVEHTDIRUSIDFU-MRXNPFEDSA-N 439.350 4.991 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2NCc2ccc(Br)cc2O)CC1 2144613776 RNBLQRCFOBDONX-SFHVURJKSA-N 439.394 4.814 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2159219938 KNFVXMZHAWYWOU-IRTIRVBGSA-N 433.365 4.827 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3ccc(Br)cc3O)CCC[C@@H]12 2165301579 HXVWHILLHOAGDL-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 13639533 MBAJXEBXRJMMAI-GLDPYIMESA-N 440.565 4.535 10 10 IJCE C[C@@H](N1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O)C12CC3CC(CC(C3)C1)C2 108760804 MTZHVSUBJCLCBT-VBIVMREZSA-N 428.532 4.907 10 10 IJCE COc1ccc(N2CCCN(C(=O)/C=C\c3ccc(Oc4cccnc4)c(F)c3)CC2)cc1 206990078 SLVZTRAUJZGMBO-SDQBBNPISA-N 447.510 4.774 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2 250651833 QUHBTBGHRMZVAG-UMEGOILYSA-N 432.545 4.740 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526252555 VIFZAYGNVRPLJK-XMMPIXPASA-N 447.487 4.789 10 10 IJCE C[C@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705901361 QLJWYUANGWWLEJ-PDIWNELESA-N 429.402 4.851 10 10 IJCE CCOc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1 1857992784 WVSBWZYETWQVPA-UHFFFAOYSA-N 435.549 4.587 10 10 IJCE CCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169567 PJVJRVLPWDAVLR-UHFFFAOYSA-N 427.548 4.601 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccccc1O 1952863397 VLKQJHWVIXBERM-URXFXBBRSA-N 429.472 4.789 10 10 IJCE CC[C@H](N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271311457 KLULFBJSINEXEC-RRQGHBQHSA-N 427.383 4.983 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932337 MKOVKWOBZPHTNJ-KBPBESRZSA-N 443.546 4.510 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1O 2321613575 MFGVMXXFQUJUNC-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1 2321718277 WGTAMTCPGUJUBY-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 13637304 XTSWQQWGLPKRBG-HWBMXIPRSA-N 432.545 4.697 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc4ccccc4c3)N=C2C)ccc1OCC(=O)O 33446915 QBTQEHFHCSBNMB-CIAFOILYSA-N 430.460 4.508 10 10 IJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 205969915 HNBYUHFLFUMJTH-JJIBRWJFSA-N 443.503 4.849 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NCc2cc(Cl)cc(Br)c2O)C1 708193786 WRQBWPRNAKEBJW-YJYMSZOUSA-N 445.785 4.687 10 10 IJCE COC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 1860086296 WQXQVUNAWFVRHC-XNTDXEJSSA-N 434.336 4.642 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1ccccc1Cl 1865671653 MSRRTEKHOVNSML-ZHZULCJRSA-N 430.891 4.941 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=S 2314761294 ROZWEOZFZXTELN-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc(Cl)c1O 2332139621 ALYOAOCSUYPXCO-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C)c(Br)c1O 2352681901 XLXUVSFHWXVHEQ-GOEBONIOSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCCC[C@H]23)c(O)c1Br 2380797577 INLDVIFKOIFDGC-BRWVUGGUSA-N 439.394 4.731 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468741 CEOPADWUKNSSMC-JXQFQVJHSA-N 432.520 4.683 10 10 IJCE C[C@@H](NC(=O)c1cc2cccc(Br)c2o1)c1ccc(N2CCOCC2)cc1 109180223 JKSLYVNWOIDRHC-CQSZACIVSA-N 429.314 4.523 10 10 IJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205959074 BIRJYKBFKNUKGV-CJLVFECKSA-N 429.451 4.749 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C\C(=O)O)c(Br)c1 382627877 WDYRYCWZXZZTCI-FPISAVPCSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2cc(Br)ccc2O)c1 687628641 DJYXKIIMMGYFOO-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1184937905 RLDVRWWZLWBWGV-BETUJISGSA-N 425.426 4.668 10 10 IJCE CCc1ccc(S(=O)(=O)Nc2c(NC)cc(C(=O)O)c(Nc3ccccc3)c2F)cc1 1857997071 ZVAIKOCSVJWOFC-UHFFFAOYSA-N 443.500 4.672 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1O 1860074775 MFGVMXXFQUJUNC-XNTDXEJSSA-N 436.352 4.959 10 10 IJCE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)COc1ccc(N)cc1 1860083519 QCVVULADBFIUJE-UHFFFAOYSA-N 436.533 4.680 10 10 IJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860345227 VSRVKOHCXIXEDX-UHFFFAOYSA-N 434.499 4.521 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)CCCOc2ccccc2Cl)N2CCCCC2)cc1 1865934895 LIQJTWSDUGWCBF-QHCPKHFHSA-N 444.019 4.908 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C)c1-c1ccc(Br)cc1 1866102472 UWHRCZHIWDJKEA-UHFFFAOYSA-N 446.326 4.705 10 10 IJCE CCN[C@@H](c1ccccc1O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902421 IVVSMMQIUHWSHA-JYFHCDHNSA-N 440.584 4.887 10 10 IJCE COc1ccc(O)c([C@H](C)n2ncc(C3CCCCC3)c2I)c1 2070203408 NZNQNGJHQFAKSS-LBPRGKRZSA-N 426.298 4.859 10 10 IJCE CC(C)[C@@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2126371729 LKLHAJKMXYOUFB-HZPDHXFCSA-N 447.801 4.932 10 10 IJCE Oc1cc(Br)ccc1CNc1cc(Br)cnc1Br 2221587541 USTMLOWJSNHYON-UHFFFAOYSA-N 436.929 4.687 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280332881 JBVDSFBWOFERHY-NSHDSACASA-N 446.126 4.743 10 10 IJCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2293250202 KYDZEQVUYYPBMN-UHFFFAOYSA-N 442.327 4.615 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1 2294005041 QODPTDCMKBSBAR-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 2294094927 FBJXYPDPVXJRRY-HNNXBMFYSA-N 426.900 4.801 10 10 IJCE O=C(Oc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)c1cccs1 2297366718 DBIPWADMLAXYER-UHFFFAOYSA-N 427.528 4.962 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 2314732706 UGFYXHPRNSCRAI-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469265 UGPGXVFJGFCGQO-AXHZCLLHSA-N 434.536 4.975 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccccc1 20236412 ACWSOWRPVHSGKU-ALBAOUQLSA-N 449.532 4.707 10 10 IJCE CCN1C(=O)/C(=C\c2cn(CCOc3cccc(OC)c3)c3ccccc23)SC1=S 33859836 MVJARMHCRSPOKZ-FYJGNVAPSA-N 438.574 4.950 10 10 IJCE Cc1ccc(COc2cccc(/C=C3\SC(Nc4ccccc4C(N)=O)=NC3=O)c2)cc1 39869831 PQGMXZILVTWSCG-HMAPJEAMSA-N 443.528 4.755 10 10 IJCE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1F 743599987 YALFOKJRLXCXQG-PGRDOPGGSA-N 432.609 4.616 10 10 IJCE CC(=O)c1cc(F)cc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1O 750825874 MOSMYMRBWYXZLK-UHFFFAOYSA-N 426.410 4.602 10 10 IJCE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705875145 JIDCACJTFSTGKG-UHFFFAOYSA-N 442.611 4.727 10 10 IJCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c1 2079797591 LKIBMDPYFPTYHO-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1OC 2321692879 HBIZWDUIFCWYKF-UHFFFAOYSA-N 426.563 4.710 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352952906 QNMMSRNCVSFACN-LZWOXQAQSA-N 427.383 4.635 10 10 IJCE CC[C@@H](NC[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2357885482 DCARNKUFJCRLOR-OXTHUFEASA-N 439.394 4.843 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)c(O)c1Br 2381130768 DMUVCAFDSVYOES-SJORKVTESA-N 441.410 4.834 10 10 IJCE O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1c[nH]nc1-c1ccccc1 1886957 ZRGNFVBUYYAYIY-DEDYPNTBSA-N 449.967 4.523 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1 15039820 ZNGHUXIXALHRDW-ATVHPVEESA-N 432.954 4.666 10 10 IJCE CC(=O)N(c1ccc(C(C)(C)C)cc1)c1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O 15082996 VGYDJMCRBBLXJW-UHFFFAOYSA-N 429.472 4.855 10 10 IJCE N=C1/C(=C\c2cccn2CCOc2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12 33795067 OGOAAPDKPBVTNR-JUIDXRIDSA-N 440.528 4.871 10 10 IJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccccc2OC(F)F)cc1 58513363 GEVFDQXPTNSEQS-QGFLDLQWSA-N 430.495 4.575 10 10 IJCE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1C)C[C@H](c1cc(Cl)ccc1O)N2 65298054 ABHUYOSTQLKWMM-JOCHJYFZSA-N 425.960 4.525 10 10 IJCE biogenic COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1 210712194 VYMQFKCDSFXJAY-XMHGGMMESA-N 426.563 4.624 10 10 IJCE C/C(=C\c1ccc(Br)o1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 1136480594 RKHZCKVPAFVLKT-YFIXDKARSA-N 447.373 4.719 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(CCCNC(=O)OC(C)(C)C)CC(F)(F)F)c1O 1644360467 XKSPFSRXCVZOFR-UHFFFAOYSA-N 438.874 4.527 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2nc(-c3ccncc3)oc2c1 1859707558 TWGZDDMEYXEUPY-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1 1860345004 MVPLNKNYMQMXBD-UHFFFAOYSA-N 434.499 4.603 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679599 VKXOHGSTRMORIU-LICLKQGHSA-N 441.871 4.601 10 10 IJCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885265 BMFLCVOCUFLTRE-LURJTMIESA-N 447.105 4.506 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1Br 2079036004 OFNZPFFCMSBRBB-AWEZNQCLSA-N 447.251 4.855 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)C)c(C3CCC3)c2I)c1 2079825630 ZHSRSJCZZAFXFW-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(N)c2I)C2(C)CC2)cc1C 2079972718 YUTZCXYLFNCRBR-QGZVFWFLSA-N 439.341 4.905 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNCc2ccc(Br)cc2O)CC1 2178640619 INPQCCDNNFUVRR-OYOVHJISSA-N 445.373 4.668 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2296825671 VWXBSOHZORYZQU-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccccc3Cl)SC2=S)N(C)C)cc1 2323879870 MSWSWGFIEOXUGI-GOSISDBHSA-N 432.998 4.853 10 10 IJCE CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 40888214 CIZKSMMTFWRQOO-ZHZULCJRSA-N 441.574 4.810 10 10 IJCE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 59857961 VVFIZCGGRDKZSM-XDHOZWIPSA-N 434.883 4.708 10 10 IJCE CC1(C)C[C@H](NCc2cccc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 710458312 IPJSAWIIUNXHAA-OAHLLOKOSA-N 427.383 4.670 10 10 IJCE Brc1cc(CN2CCN(CCc3ccccc3)CC2)ccc1N1CCCCC1 1308655623 SOAAWJJMHMILPI-UHFFFAOYSA-N 442.445 4.800 10 10 IJCE CC(=O)c1cc(S(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)ccc1Br 1662569432 OTUXKNRHBVHQKE-UHFFFAOYSA-N 436.327 4.528 10 10 IJCE CC[C@H](C)N(C(=O)c1cc(OC)cc(OC)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917435 PVBMTCZDZAEVRW-INIZCTEOSA-N 443.499 4.925 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1OC 1860085168 SHWHOWOLXNRHQX-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2cc(Cl)cc(Br)c2O)CCCC1 2098630585 BKBSAFJTZLUQBJ-UHFFFAOYSA-N 447.801 4.983 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)c1nscc1Br 2130110655 UKWVXWRAUJJBCB-LURJTMIESA-N 426.561 4.878 10 10 IJCE CC1(C)CC[C@H](NCc2ccc(Br)cc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155357714 NMMGMDJBNKSOHM-WBVHZDCISA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2NCc2c(O)cccc2Br)C1 2156250498 IDHGYDXAKQEEFN-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE CC[C@@H](NC[C@]1(F)C[C@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172279281 FSHHARRXCLGRIV-OWDMVUQNSA-N 445.373 4.838 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(Br)cc2O)C(F)(F)CC1 2284577533 GPYUOOOXIYYXFM-MRXNPFEDSA-N 449.336 4.669 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OCC 2314741465 ZTRPSYWYJWGMIM-UHFFFAOYSA-N 449.594 4.561 10 10 IJCE O=C(O)CCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 40938510 RRZNYXUVYAQQJK-MOSHPQCFSA-N 436.558 4.756 10 10 IJCE Cc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 83317436 JOVJOWDWMWLXID-CVNFFVDQSA-N 439.558 4.594 10 10 IJCE Cc1ccc(/C=C\C(=O)N(C)c2cc(N(C)C(=O)/C=C/c3ccc(C)nc3)ccc2C)cn1 754361564 IWWTUHLYZVJRLN-ADBGAXBCSA-N 440.547 4.754 10 10 IJCE Cc1nccc(CNC(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)n1 918020094 GAPPRFZRXSVLGA-HXUWFJFHSA-N 443.473 4.780 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OC 1858589983 SHEKLBQNDBUEFY-WOJGMQOQSA-N 434.627 4.604 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNCc1cc(Cl)cc(Br)c1O 2027283302 IQSCXTFVWXZNBF-XHDPSFHLSA-N 433.774 4.591 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Cl 2079857294 YXGOKBYRKOSGTO-OAHLLOKOSA-N 432.826 4.836 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1OC 2296664611 QSZJAKVZUNODTQ-UHFFFAOYSA-N 437.945 4.940 10 10 IJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1C1CCCCC1 2297295890 RXGDKTBFZJNXTO-UHFFFAOYSA-N 426.357 4.712 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2297554342 AIEMODGXUZLCOA-UHFFFAOYSA-N 443.590 4.648 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)SC1=S 2314761311 SBUMZCCSNQPUTJ-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE CC(C)Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 2314764531 FVFMFBNBXYSHEZ-UHFFFAOYSA-N 432.954 4.673 10 10 IJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323829751 OLSOODGINBZQJH-QRWLVFNGSA-N 441.574 4.966 10 10 IJCE Cc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c(O)c1Br 2381126772 AYMTVQKQZYVGHH-QGZVFWFLSA-N 435.362 4.819 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N2O1 20236846 NLOATJNHIFMHFG-OQYABBNDSA-N 437.883 4.638 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)o2)cc1 34982616 NPKZJGQLBMTULG-MIQLPHMESA-N 443.546 4.504 10 10 IJCE Cc1cccc(C)c1OCCCOc1ccccc1/C=C1\C(=N)N2C=CSC2=NC1=O 103703924 SQPDOTZEIGYSIH-BACOSTCQSA-N 433.533 4.928 10 10 IJCE CN(C)c1ccc([C@H](CN)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698228553 CJSPLPQWJRFYCR-IBGZPJMESA-N 434.378 4.957 10 10 IJCE O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1ccc(OC(F)F)c(Cl)c1 735704212 TVCMUHMRNPRQHZ-CHHVJCJISA-N 437.880 4.995 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 745848566 MWVABQLYNAPHPF-XUZZJYLKSA-N 440.657 4.963 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1O 1559533638 QONLGADSGGQGTD-UHFFFAOYSA-N 428.504 4.711 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1O 1654661046 GFCWLKOAYMGLTK-NRFANRHFSA-N 428.504 4.528 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)CC(C)(C)C)nc(C(C)(C)C)n3)CC2)cc1 1869186053 CMEWQLZIKMXFQL-UHFFFAOYSA-N 425.621 4.592 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080008478 TUWIATXUWKRGBZ-QGZVFWFLSA-N 433.346 4.806 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2185903954 NMDYDLNMNMTBJM-SJLPKXTDSA-N 439.394 4.985 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2Br)C[C@@H]1C(F)(F)F 2264568419 FWOKLUQEESDTDW-GXFFZTMASA-N 438.288 4.774 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)cc1 20071326 SFCZNIANLAOCEM-BWKNWUBXSA-N 432.476 4.660 10 10 IJCE CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 33332510 YDRVLDMFQAQHJJ-WOJGMQOQSA-N 447.965 4.683 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)CC12CCC2 701011691 BXRCNQYBIKLNHP-MRXNPFEDSA-N 425.367 4.567 10 10 IJCE Oc1c(F)cc(Br)cc1CNc1ccc(F)cc1I 715737915 ODBCIEDIYAIGAA-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE C/C(=C\c1ccc(Br)o1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 1136480592 RKHZCKVPAFVLKT-MQMQVCBVSA-N 447.373 4.719 10 10 IJCE CC(=O)c1cccc(NC(=O)CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)c1 1307541158 GSQTWPGROFYNKB-UHFFFAOYSA-N 436.533 4.676 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1O 1460983827 WEHRGDDLCWCTGX-GOSISDBHSA-N 434.552 4.641 10 10 IJCE COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1OC 1859120275 SKIRYNNCZLXXMF-WYMLVPIESA-N 445.519 4.674 10 10 IJCE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080033430 KBIXRCPHFNYKNK-MRXNPFEDSA-N 437.334 4.745 10 10 IJCE COc1ccc(Cl)cc1C=C1C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O 2293233222 SECBAODWXGQCJW-UHFFFAOYSA-N 442.953 4.859 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S)NCc1ccccc1 2314827365 CJVUXONOUNFKBV-UHFFFAOYSA-N 444.581 4.871 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 2323865670 KCCDDCHVPRUOPF-SFHVURJKSA-N 425.575 4.881 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100010 BKYUPUKMLQTZPL-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CCOC(=O)[C@@H]1CCCN(c2cc(NCC(C)C)c3c4c(onc24)-c2ccccc2C3=O)C1 9641641 XGWMFOGJPUZVHX-MRXNPFEDSA-N 447.535 4.887 10 10 IJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644890 SHIVJBOUCJGQNX-ZWBFNDLWSA-N 425.598 4.656 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1 27527768 VSOSJUHDGNATRH-XKZIYDEJSA-N 442.471 4.779 10 10 IJCE COc1ccc(Br)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33338975 NXMRBUADZYZTRL-SFQUDFHCSA-N 434.380 4.902 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)C(=S)N=C2O)cc1OC 33395102 HHQNBQPDDXXVLO-GHXNOFRVSA-N 437.304 4.682 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CNc1cc(Cl)ccc1Cl 59372431 CMHOQKIGNOGZPU-OMCISZLKSA-N 439.345 4.993 10 10 IJCE Cc1cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1 60319606 ADGPPMFSMSNDBD-UHFFFAOYSA-N 429.536 4.610 10 10 IJCE CC(C)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1Cl 586227087 QJQAEDRNLTVSKT-UHFFFAOYSA-N 439.920 4.719 10 10 IJCE CC1(C)C[C@H](NCc2ccc(Br)cc2O)CCN(C(=O)OC(C)(C)C)C1 700061329 HFTRGBYEYFILLY-MRXNPFEDSA-N 427.383 4.670 10 10 IJCE CC(=O)N(C)c1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 744428273 BQCFNQXWQHGSEJ-HSZRJFAPSA-N 441.491 4.829 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664310 KRNZPZMVRVPDKD-DEDYPNTBSA-N 448.906 4.893 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccn3)c3ccccc3)cccc21 1868169911 WPHGAYLMONQTSW-HSZRJFAPSA-N 432.479 4.822 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2CC)n1 1868275538 TVFNECURIQGUCN-MRXNPFEDSA-N 426.520 4.937 10 10 IJCE CCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422585 FEGVSMAUTMVNQZ-UHFFFAOYSA-N 427.504 4.509 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OC 2323844435 MYJBSVKUBHDFCE-UHFFFAOYSA-N 443.546 4.584 10 10 IJCE C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10963456 SUNVNIXPEMEGRF-ZDUSSCGKSA-N 428.469 4.723 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 14469549 QLCIFXRDEDEWDD-FBLLAGFSSA-N 432.545 4.740 10 10 IJCE C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 40567457 PBAIYIFXBGHYHV-BNUBCSQOSA-N 428.318 4.928 10 10 IJCE CC(C)(C)NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586610832 SJKWQQAKSSJZEF-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1OC(C)C 1442619944 VDELOZMVNHEUCR-QHCPKHFHSA-N 438.568 4.564 10 10 IJCE CCOCCOC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 1874172378 KZRFOLQCQLXCPQ-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(CO)c2Br)C(C)(C)C)c(O)c1 2079854573 KEVZCRPDNRSWCX-CQSZACIVSA-N 437.256 4.506 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)cc1C 2079856318 SLNQXDGYQAWELG-CQSZACIVSA-N 449.283 4.965 10 10 IJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNCc1cc(Cl)cc(Cl)c1O 2159036536 SEGXZIKOVSLPMX-KRWDZBQOSA-N 425.303 4.823 10 10 IJCE CC(C)(C)OC(=O)Nc1ccccc1OCCNCc1cccc(Br)c1O 2183228698 XNRJVTOCWOJGRN-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(Br)c1 2187750794 QANFOGNUNSBEML-SFTDATJTSA-N 428.418 4.658 10 10 IJCE CC1CCC(CNCc2cc(Br)cc(F)c2O)(NC(=O)OC(C)(C)C)CC1 2201443108 NDVZSOPQPKGZOZ-UHFFFAOYSA-N 445.373 4.857 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2294353254 LIDHUXHHTQLROB-UHFFFAOYSA-N 438.911 4.714 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2295914217 RBOAQQXBDLTPHZ-HNNXBMFYSA-N 438.357 4.891 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)cc1 2297511687 YVRIPMLUQIMGOE-UHFFFAOYSA-N 435.119 4.930 10 10 IJCE COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)C(=Cc3cccnc3)S2)cc1 2314952156 VAFRORNHQGEVGV-JOCHJYFZSA-N 440.528 4.912 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352933052 VODBTIKNVDYYQV-INIZCTEOSA-N 427.383 4.732 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@]2(CCNCc3cc(Br)cc(F)c3O)CC[C@H]1C2 2363600291 VGNMHHORAMQWCW-MGPUTAFESA-N 443.357 4.563 10 10 IJCE Cc1ccc(-c2onc3ccc(/C=C4/SC(=S)N(CCCC(=O)O)C4=O)cc23)cc1 39895690 DMXGADFHPOPBCC-LDADJPATSA-N 438.530 4.869 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526503278 CUUOSAAGVKVENO-VWLOTQADSA-N 443.547 4.884 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)cc1 526616897 ITXOBHVVMYFBEG-NRFANRHFSA-N 443.377 4.581 10 10 IJCE CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)NC)cc2)sc(C)c1-c1ccccc1 586636204 HZPBWOCEYIUXFD-UHFFFAOYSA-N 437.521 4.904 10 10 IJCE Cc1cc(Br)c(O)c(CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c1 781920552 OQBOYWANQXEDTI-OALUTQOASA-N 443.385 4.731 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)Cc1cccc(C)c1 1857996798 GKYGZBQOCGBZAD-UHFFFAOYSA-N 443.500 4.560 10 10 IJCE COc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871000390 ZPAMVHPXGZZDLL-UHFFFAOYSA-N 427.504 4.967 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NCc1ccc(Br)cc1O 1924845372 PFQZXHCNRYNELA-QAPCUYQASA-N 439.394 4.718 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]2CCC[C@@H]21 1925973161 ZWIIYYXQUXBQHD-BPUTZDHNSA-N 445.785 4.686 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cccc(F)c1O 1952828548 BQLJEGCENYTBHQ-NFBKMPQASA-N 447.462 4.928 10 10 IJCE CCc1c(C(C)C)nn(Cc2ccc(Br)cc2O)c1I 2079823464 CJDHBMSHOJXIPR-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE CC[C@H](N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21)c1cc(Br)ccc1O 2094643751 WUYNYWOTEPMCND-OXXUSNJHSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2NCc2cccc(Br)c2O)C1 2156251745 QKDHLMFQFHDGRT-DYESRHJHSA-N 439.394 4.814 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2c(O)cccc2Br)C(F)(F)CC1 2284559660 OOCRVAVVTYIJMT-MRXNPFEDSA-N 449.336 4.669 10 10 IJCE Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)C=Cc3ccccc3OC(C)C)cc12 2297333654 BWCDKTDJCZCDDK-UHFFFAOYSA-N 444.579 4.734 10 10 IJCE CCOc1ccc2ccccc2c1C=C1SC(=S)N(CC(=O)OCC(C)C)C1=O 2314739586 GOAOXBZQEFBXQN-UHFFFAOYSA-N 429.563 4.639 10 10 IJCE CC(/C=C1\SC(=S)N(CCCC(=O)NCc2ccccc2)C1=O)=C\c1ccccc1 15043648 WSIWZORTGJLTJK-KPVYVFMXSA-N 436.602 4.931 10 10 IJCE O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 33568022 ILADHQHZRKNYRK-JYRVWZFOSA-N 428.318 4.929 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1Cl 59109213 JLOKTESFHGQFPD-HSNFWNHWSA-N 441.915 4.752 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 249906439 MBAJXEBXRJMMAI-YDIMBITNSA-N 440.565 4.535 10 10 IJCE CC1(C)CC[C@@H](CNCc2cc(Br)ccc2O)N(C(=O)OC(C)(C)C)C1 686996828 BWKJRJPHXMWTCA-INIZCTEOSA-N 427.383 4.670 10 10 IJCE Cc1cncc(/C=C/C(=O)Nc2ccc(N(C)C(=O)/C=C/c3cncc(C)c3)c(F)c2)c1 772153358 SDMSCGXPTSFTSG-KBXRYBNXSA-N 430.483 4.561 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1O 1307815060 GXZOCOJNVHYSLW-GOSISDBHSA-N 429.822 4.720 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(Cl)cc4)c3)CC2)cc1 1872846277 UZTBVCKHSYXXNQ-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(C=O)c2I)cc1C 2080054360 PEAOSLURMBABCQ-HNNXBMFYSA-N 448.251 4.806 10 10 IJCE CC[C@H](NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2087517781 QSAHYZTUDVTCGU-RRQGHBQHSA-N 427.383 4.889 10 10 IJCE C[C@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2115816518 CMSKRQBZNSNYQR-STQMWFEESA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@H]2CCCC[C@@H]21 2241001090 MSWXBPHARZNKAA-JLSDUUJJSA-N 439.394 4.813 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)ccc1O 2321685163 QOBGJXASWTVBSF-UHFFFAOYSA-N 426.563 4.797 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526329258 VTPJHVDDRYFNRW-XMMPIXPASA-N 448.494 4.966 10 10 IJCE Cc1cc(-c2nnc(-c3cccc(NC(=O)[C@H]4CCCO4)c3)o2)c(C)n1-c1ccccc1 1322297610 VLABWDBHCUSWCI-JOCHJYFZSA-N 428.492 4.929 10 10 IJCE COc1ccccc1-c1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(O)n1 1438176564 DXKZTXLCCGLEKC-UHFFFAOYSA-N 441.531 4.843 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858595328 AFEGUIOMFKTLJC-FOWTUZBSSA-N 445.423 4.911 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1Br 1860086306 XIKZLKJOMLBYGR-RQZCQDPDSA-N 448.363 4.935 10 10 IJCE CCN1CCc2cc([C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc3ccccc3)ccc21 2044718590 KGUHYXCKOFYDIA-QFWMQHCXSA-N 440.584 4.601 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](C2(NCc3cc(Cl)cc(Br)c3O)CC2)C1 2090169799 WCMIMZGZDOUGJD-ZDUSSCGKSA-N 445.785 4.687 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](NCc2cc(Cl)cc(Cl)c2O)(C(F)(F)F)C1 2159811938 YYRBFYGIUUSQIQ-INIZCTEOSA-N 429.266 4.731 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCCN1C(=O)OC(C)(C)C 2258759304 DRYWLOJJEBXJRK-IAQYHMDHSA-N 433.774 4.686 10 10 IJCE CCCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 2314648145 QQHURCJIEODPBX-UHFFFAOYSA-N 441.622 4.771 10 10 IJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837027 NFWOJBPJWVLYEO-LBPRGKRZSA-N 432.954 4.582 10 10 IJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1Cl 2332144771 MKICCWMEKPWUEL-UHFFFAOYSA-N 433.851 4.784 10 10 IJCE CC(C)(C)OC(=O)NCCCc1ccnc(NCc2ccc(Br)cc2O)c1 2370299111 GUBFDRWOXXGSPT-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638851 PGLHIPQGTYVVLQ-OPYAIIAOSA-N 447.398 4.962 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469236 VPRACMOAGAIBKY-WZOHSFFVSA-N 432.520 4.683 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)o2)cc1 34982614 NPKZJGQLBMTULG-DAQNXSASSA-N 443.546 4.504 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526493285 GPJUZFHKJVUJBO-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1319852601 XLNTVBKENABXMY-HXUWFJFHSA-N 434.964 4.614 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2ccc(Br)cc2O)CC1 1561048539 XTXHCFPLLZUHSN-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE COc1cc(C(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc(OC)c1OC 1857991165 AXBMTGGSPRSLPH-UHFFFAOYSA-N 445.519 4.665 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 1860087042 WSIUNHUVRYLSBE-LDADJPATSA-N 442.518 4.958 10 10 IJCE O=C1/C(=C\c2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 1865656447 KZDOZNQJRCLQSX-DHDCSXOGSA-N 427.195 4.932 10 10 IJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCOc4ccccc4)ccc3[nH]2)cc1 1872738873 YGJSDSPPSAGFBQ-UHFFFAOYSA-N 428.536 4.885 10 10 IJCE COc1ccc(N2CCN(C(=O)C3(Cc4nc5ccccc5s4)CCCC3)CC2)cc1 1873831298 CAESQMQGFHZOFY-UHFFFAOYSA-N 435.593 4.757 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190561955 TWMHCXXOQOYTOJ-CQSHLORDSA-N 433.365 4.867 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cc(C)ccc2C)c1C 2294085092 LXJMTQWPXZPPAO-QFIPXVFZSA-N 448.563 4.563 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2296135886 GQEWULKGQFNCIO-UHFFFAOYSA-N 447.922 4.976 10 10 IJCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 2297468083 NGCLGKMKNVYXIY-UHFFFAOYSA-N 435.553 4.768 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12)c1cc(Br)ccc1O 2330838418 PILGWOXEZJOIBQ-MXASKKJJSA-N 425.367 4.593 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2F)C(C(F)(F)F)=NN1Cc1ccccc1 2332129881 XQFZVJHFPHYCAX-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 2332147890 BWAFTIBYNXBWOT-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE O=C1/C(=C\c2ccccc2I)SC(=S)N1C1CCCCC1 2832634 KOTDLKCZDLCHND-GXDHUFHOSA-N 429.348 4.825 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 13639272 VWLGXFIQUGPGQA-QKLQHJQFSA-N 427.342 4.652 10 10 IJCE CN(C)c1ccc(CNC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1 21109326 VPXCZUCJZHPUQA-UHFFFAOYSA-N 437.613 4.552 10 10 IJCE CCCN(CCC)C(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 23335999 IIHZXERVPMJJPF-UHFFFAOYSA-N 446.595 4.832 10 10 IJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3ccccn3c2=O)SC1=S 33492897 KFYBXIWLSAESAF-SUCHYCSPSA-N 444.626 4.544 10 10 IJCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1Cl 33696541 HCQFJJNGOZBVSN-FQYHFWRWSA-N 426.929 4.923 10 10 IJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 39874949 GFLGNGDQCFBPCP-PXNMLYILSA-N 443.550 4.584 10 10 IJCE CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O 102469645 WLDWQFLNXMFKCT-STZFKDTASA-N 441.984 4.840 10 10 IJCE C[C@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705967976 PGTWHLZGSVPIRI-PDIWNELESA-N 428.418 4.817 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccc(O)cc2)cc1 1865658470 IVQYQKXYLRFHGO-KGENOOAVSA-N 449.304 4.998 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccccc2[N+](=O)[O-])cc1 1865678180 YKZGYPSPBGWKRB-KGENOOAVSA-N 431.423 4.573 10 10 IJCE CCc1sc(NC(=O)CCCCO)c(C(=O)OC)c1-c1ccc(Br)cc1 1866066654 AXYONUICMCUQLY-UHFFFAOYSA-N 440.359 4.628 10 10 IJCE C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923143314 WJRUBKREKJUCJT-BXUZGUMPSA-N 433.774 4.543 10 10 IJCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CNC2CC2)c(Br)c1 2153292677 RKJYNCNREQZSPF-GOSISDBHSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)NCC1(F)CCC(CNCc2ccc(Br)cc2O)CC1 2178647598 INPQCCDNNFUVRR-UHFFFAOYSA-N 445.373 4.668 10 10 IJCE N=C1SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N1c1nccs1 2296649626 PSYPAVVACJZRSK-UHFFFAOYSA-N 431.882 4.810 10 10 IJCE Cc1cccc2cc(C=C3SC(=S)N(CCC(C)C)C3=O)c(N3CCOCC3)nc12 2314648128 PWVJJRHIUIMDAW-UHFFFAOYSA-N 441.622 4.627 10 10 IJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S 2321635495 ZFDONTOWHZSIIS-UHFFFAOYSA-N 430.507 4.796 10 10 IJCE CC(=O)c1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1 27519828 IGANKJYUQMTHSV-JLPGSUDCSA-N 445.494 4.504 10 10 IJCE CCc1nc2cc(Cl)ccn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 71448606 FPZYFYNSDPCQBV-UHFFFAOYSA-N 429.863 4.578 10 10 IJCE CNCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 312801645 KLEDFVOJPSPNGG-UHFFFAOYSA-N 428.418 4.661 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1 526435199 DDOVKZCMCGIMOE-DEOSSOPVSA-N 445.471 4.756 10 10 IJCE Cc1cc(Br)cc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)c1O 575303658 XJNYYXUGBCDNIB-KRWDZBQOSA-N 446.263 4.783 10 10 IJCE NCc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715010511 SFTACPWWNIGVAV-MOPGFXCFSA-N 432.381 4.538 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNCc1cc(Cl)cc(Br)c1O 721111062 DFUGPGSNIBNXKD-STQMWFEESA-N 447.801 4.791 10 10 IJCE C[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N(C)C)cc1 773619065 QQADECQUDGKLEW-OYHNWAKOSA-N 440.975 4.625 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1OC 1860087875 XYCVCOFIPXTGOS-WOJGMQOQSA-N 430.507 4.716 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CC(C)(C)c5ccccc54)nc(C)n3)CC2)cc1 1869295272 DRUAOJKDGMLSLU-UHFFFAOYSA-N 429.568 4.550 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCC4=CCCCC4)cc3)CC2)cc1 1872883867 ASJSRFUGGZYNAB-UHFFFAOYSA-N 433.596 4.638 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CC[C@@H]1CCCN2Cc1ccccc1 2145618256 QSPFLKBRBUVNPR-AVRDEDQJSA-N 433.365 4.828 10 10 IJCE COc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296754920 RVYHVDUIQCKSHI-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2296882324 OYQACIRPZHCDFO-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2)cc1 2297364445 MDSONVLEFKVVKU-UHFFFAOYSA-N 440.499 4.665 10 10 IJCE CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)Nc2ccc(Br)cc2)cc1 2314565859 ISEJFMAEVKMQTI-UHFFFAOYSA-N 444.373 4.657 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C)c(C)c2)C1=O)C(=O)O 2314932145 LAVAMZJBSWNSRI-QGZVFWFLSA-N 427.547 4.951 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1O 2916671 DHRLIFVOLKRCEF-VGOFMYFVSA-N 440.315 4.708 10 10 IJCE COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137550 IWCNFMPWPUCMOR-HSZRJFAPSA-N 442.003 4.688 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1 13635193 GJYHKPBEFFQCKK-SLSDLSHTSA-N 438.593 4.942 10 10 IJCE Cc1ccc(-c2csc(-c3cccn3CC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 21656791 BKILDUUFFZSZRV-UHFFFAOYSA-N 430.577 4.969 10 10 IJCE CCc1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 205946716 YYPTVVGDFZDLNW-KGENOOAVSA-N 434.521 4.511 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NC2CCCCC2)cc1 205961538 LRSCGPQPISOJMK-CJLVFECKSA-N 434.496 4.551 10 10 IJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1F 687754832 NEARVPMKBCYJCE-RUZDIDTESA-N 435.451 4.760 10 10 IJCE Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1-c1cccc(Br)c1 728538023 HPPLWKNXTVHVBV-IBGZPJMESA-N 427.346 4.530 10 10 IJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccs1 1705574562 HCQXYYHADNRFJB-UHFFFAOYSA-N 439.588 4.730 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc(OC)c1OC 1860087662 MOAROUUEUAZXNA-VXLYETTFSA-N 445.562 4.905 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658969 XIQDOGNKUZSPEE-KGENOOAVSA-N 448.906 4.893 10 10 IJCE CCOc1ccc(/C=C(/C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1866314190 ZAJYJJVMOJODHW-SZXQPVLSSA-N 442.559 4.983 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2[nH]cc(CN3CCCC3)c2c1 1874179373 ASMFNIPXZUVGGH-UHFFFAOYSA-N 449.510 4.791 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2078978653 ZDJPZXPHHWZNMP-QGZVFWFLSA-N 442.341 4.753 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)c1cc(Br)ccc1O 2090373863 FWBFDAAYWGQZNO-OWCLPIDISA-N 431.346 4.543 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158897242 SIXZHKUEJASOAF-KPEUIFRASA-N 439.394 4.841 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 2296103036 MEFIPIBPCGUAKQ-UHFFFAOYSA-N 449.510 4.918 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2cccc(O[C@H](CC)C(=O)O)c2)SC1=S 2314932455 WKUOSJANDIEWKT-GOSISDBHSA-N 427.547 4.897 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14548286 GVEMRVDDAMXAFQ-WOVHNISZSA-N 426.516 4.844 10 10 IJCE O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 33337810 JLOCANMWSTWVNX-RZNTYIFUSA-N 426.302 4.834 10 10 IJCE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1 64963897 TWOITHHWJXHOIU-NRFANRHFSA-N 436.947 4.705 10 10 IJCE CCCCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586618483 DNJUIRPVBUCAFO-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNCc1cc(Cl)cc(Br)c1O 708073110 KUDUHBWBKDCPQJ-SFHVURJKSA-N 433.774 4.687 10 10 IJCE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 745780784 VKFOEHBDBHQLGB-YYDVJCTNSA-N 425.573 4.922 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 745848564 MWVABQLYNAPHPF-QPPBQGQZSA-N 440.657 4.963 10 10 IJCE Cc1ccnc(C2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)CC2)n1 799994829 GLBLOKANAWKIMI-QGZVFWFLSA-N 442.007 4.764 10 10 IJCE Brc1cc(CNc2ccn(CCc3ccncc3)n2)ccc1N1CCCCC1 1474068352 FECUYGRSGIIRIX-UHFFFAOYSA-N 440.389 4.886 10 10 IJCE CC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cc1C 1537252040 YHZXXYNUQOPNHJ-UHFFFAOYSA-N 449.308 4.922 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCC)c3O)SC2=S)cc1 1860076529 HSABUWWROJBXCM-QGOAFFKASA-N 443.546 4.764 10 10 IJCE CCN(C(=O)CCNCc1cc(Cl)cc(Br)c1O)c1cccc(C)c1 1860715478 WTDGGVOPZACDFV-UHFFFAOYSA-N 425.754 4.649 10 10 IJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044756099 HSXLPTBQCKALNA-ZEQRLZLVSA-N 439.600 4.657 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NCc1cc(Cl)cc(Br)c1O 2103917004 GDPNHAWMEISILO-HBBFGDNQSA-N 445.785 4.543 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148938796 LAKKAWZMIPWLAX-SLYNCCJLSA-N 428.418 4.817 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188880628 WAQRAMVRDWSDQQ-REWPJTCUSA-N 428.418 4.658 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)C[C@H]2CCCC[C@H]21 2240999433 BFEYKEJIIOEFHJ-RVKKMQEKSA-N 439.394 4.813 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccccc3C)C(=O)N=C2S1 2297499705 WQWMOILPLUORII-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE Cc1ccccc1OC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 1471692 VZBRRDGKLKQXCX-UHFFFAOYSA-N 429.545 4.964 10 10 IJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 20071249 KTCDYIGBJPZNQM-CJFMBICVSA-N 432.476 4.660 10 10 IJCE C[C@H](NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1)c1ccc(N2CCOCC2)cc1 109925770 AYOWYYHOPQNETD-RXERPNITSA-N 447.510 4.740 10 10 IJCE CN(C)c1ccc(CNC[C@H]2C[C@H]3CCN2C[C@H]3c2cc(C3CCCCC3)nn2C)cc1 207392068 VEUUVHDNQCONHH-QLBJFCOMSA-N 435.660 4.501 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(Br)ccc1O 311290879 AAMXJHPVXASHFI-UNEWFSDZSA-N 427.383 4.983 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526252553 VIFZAYGNVRPLJK-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 708155525 BQRPHRFHBAMRJW-IAQYHMDHSA-N 433.774 4.543 10 10 IJCE Brc1cc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1N1CCCCC1 1201842926 SHSHPKWNCVRHLF-QRQLOZEOSA-N 427.477 4.909 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)c(OC)cc1Cl 1860084314 KRNWDWROMCGQAG-WLRTZDKTSA-N 442.927 4.733 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1860084951 AWLJVUQNRZCQQF-OQLLNIDSSA-N 430.898 4.610 10 10 IJCE CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 1874184844 HZHNRLNDDHAYFA-UHFFFAOYSA-N 446.595 4.726 10 10 IJCE CC[C@H](N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21)c1cc(Br)ccc1O 2094643750 WUYNYWOTEPMCND-AETAKHFUSA-N 425.367 4.593 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(CNC2CCC2)cc1Br 2240011275 QYIUOPIVUWKNTI-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1 2296881461 IQEUGCAYORRWPO-UHFFFAOYSA-N 436.602 4.820 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 2297469619 IKRIPIFIWHUVKA-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 33342717 NGJJTHCPDGLWEK-UNOMPAQXSA-N 431.404 4.978 10 10 IJCE CCCCc1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1-c1ccccc1 59482637 VMUAOEWHGNKWEB-UHFFFAOYSA-N 429.567 4.912 10 10 IJCE C[C@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 705900335 GZZSQULNXNGPMO-RTFZILSDSA-N 429.402 4.851 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654147 IFSDQNWVDRQVHA-UDWIEESQSA-N 434.879 4.590 10 10 IJCE COc1ccc(O)c([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951650231 DTGMRCMNPNJYEX-QHCPKHFHSA-N 447.487 4.845 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 2296881577 PLEAUXRLRMZOFR-UHFFFAOYSA-N 436.480 4.854 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccc(Sc3cccc4ccccc34)o2)SC1=S 2297348167 OKIVLWUDWSKPSJ-UHFFFAOYSA-N 427.528 4.870 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314650445 HJMHJFVHXNPNIQ-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE Cc1ccc(CNC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352680840 SAUUAZVDYWDGDV-HNNXBMFYSA-N 427.383 4.590 10 10 IJCE CCc1ccc(OCCCOc2cccc(/C=C3\C(=N)N4C=CSC4=NC3=O)c2)cc1 33446569 JJXPMYRAOKXEDI-DVSNYOTLSA-N 433.533 4.874 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C(C)=O)c2ccccn2)cc1 54120917 YXKZTOXNPRBCTO-XMMPIXPASA-N 447.579 4.577 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@@H]43)C[C@H]2C)cc1 504213776 GLLBRMNOAAYUEN-PCBLNTCTSA-N 438.612 4.664 10 10 IJCE biogenic COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCN(C)[C@H]3c3cccs3)ccc21 525041384 KNPFIPIAGQXAKG-GBXCKJPGSA-N 439.625 4.779 10 10 IJCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1I 706284592 MZHHJQANQCCIIE-MRVPVSSYSA-N 425.057 4.513 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058961 SIPROZNIZAWARD-AGHHOFFYSA-N 429.402 4.993 10 10 IJCE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 746424037 AFIZNBUUBYUPOU-AREMUKBSSA-N 427.548 4.717 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1O 1473418414 IGBBGETUAMZGMH-NRFANRHFSA-N 446.494 4.667 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)COCC 1705606009 VAQFMKBEVDRKBX-UHFFFAOYSA-N 433.600 4.875 10 10 IJCE CC[C@H](C)N(C(=O)COc1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910982 QCQHAPVFMGTPDX-SFHVURJKSA-N 427.500 4.981 10 10 IJCE O=C1Nc2cc(N(Cc3ccccc3)Cc3cccs3)c(Br)cc2[C@@H]1O 1914841494 DCYKVIDSUNLMKT-IBGZPJMESA-N 429.339 4.703 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 2296659665 DHZKFUXNBBDWOX-UHFFFAOYSA-N 426.563 4.663 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCCN(CC)CC)C2=O)cc1OCC 2323767740 OTYYEGKDYJADME-UHFFFAOYSA-N 436.643 4.807 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C23CCCCC3)c(O)c1Br 2380809226 AMJZVFRJTXCMEO-INIZCTEOSA-N 439.394 4.875 10 10 IJCE COc1ccc(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 20988756 BFUXYJLLQWSFQY-DEOSSOPVSA-N 444.510 4.796 10 10 IJCE COc1cccc2c1O[C@@H](C)C(/C=C1/SC(=S)N(Cc3ccc(F)cc3)C1=O)=C2 33523530 GQKIUEZBZXHMSH-MDBUFAAASA-N 427.522 4.943 10 10 IJCE O=C(NN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S)c1ccc(Cl)cc1 40940260 MRSLBTYPTIUWMV-RIYZIHGNSA-N 427.309 4.679 10 10 IJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)N5CCCCCC5)cc34)CC2)cc1 65001954 WDUKCDRYMGZFFC-UHFFFAOYSA-N 444.579 4.586 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 226692680 QLCIFXRDEDEWDD-OTNCWRBYSA-N 432.545 4.740 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526231770 IVLPFBADYVHZRP-XMMPIXPASA-N 447.487 4.735 10 10 IJCE Brc1ccc(-c2n[nH]c(CNCc3ccc(N4CCCCC4)cc3)n2)cc1 754891943 MLMNZJFEXMHEOX-UHFFFAOYSA-N 426.362 4.514 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1C 1084458460 PLCKICBGKYVHPM-BKUYFWCQSA-N 431.467 4.516 10 10 IJCE O=C(O)c1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1 1865674112 OJRQQKBKJIIHCD-ZHZULCJRSA-N 447.288 4.982 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc2c(c1)Cc1ccccc1-2 1892044888 QRISOTMQXHGMPZ-CVDCTZTESA-N 430.573 4.725 10 10 IJCE CCCN[C@@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2029555394 IYRSXPWZEQBUNA-JYFHCDHNSA-N 439.600 4.602 10 10 IJCE CCn1c(C=Cc2c[nH]c3ccccc23)nc2ccc(I)cc2c1=O 2296754828 DXZSOYJAFCJHBL-UHFFFAOYSA-N 441.272 4.673 10 10 IJCE COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)cc1 2297500190 QRVQPWUJRTZFHP-HNNXBMFYSA-N 448.500 4.662 10 10 IJCE CCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1OCC 2332106775 DPBDZFXMEXUGFN-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE COc1ccc(Nc2cc(N3CCC(=O)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2457252 LJZZJMKSFKVVJD-UHFFFAOYSA-N 439.471 4.961 10 10 IJCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6973907 JANKVSXVYMXHHI-MHWRWJLKSA-N 447.379 4.597 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1 14463934 DZWFCMAGOOXVNO-RZPFDVGOSA-N 446.572 4.687 10 10 IJCE Cc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1F 27521036 OFBLJLWPGZZZIE-UCQKPKSFSA-N 435.474 4.749 10 10 IJCE CCOCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S 38731999 OIZMGMLZGOVAGB-SILNSSARSA-N 441.622 4.853 10 10 IJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1 59381885 ADAHEQNFFSOETQ-LDADJPATSA-N 430.551 4.816 10 10 IJCE CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c[nH]nc3c2)cc1 526283227 URKRAMCXNZAQJM-QHCPKHFHSA-N 428.467 4.825 10 10 IJCE Cc1cc(CCNC(=O)N(C)Cc2nccn2Cc2ccccc2)c(C)n1-c1ccccc1 745390187 ASFZAZQZCDNHBF-UHFFFAOYSA-N 441.579 4.723 10 10 IJCE Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(O)c1O 769638339 GDYDCSWQDDPKTM-OAHLLOKOSA-N 449.347 4.658 10 10 IJCE COc1cc(N(C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc(OC)c1OC 780774160 GTSZENJOSKDSFX-UHFFFAOYSA-N 430.508 4.597 10 10 IJCE COc1cc(/C=C2/SC(=S)N(CCCCCO)C2=O)ccc1OCc1ccccc1 1858589619 BGMXVXQJMPEGEL-RCCKNPSSSA-N 443.590 4.638 10 10 IJCE C[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923143315 WJRUBKREKJUCJT-FZMZJTMJSA-N 433.774 4.543 10 10 IJCE Cc1cc(O)c([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1C 1952888830 XQFFLEKKEKWYNZ-SANMLTNESA-N 431.488 4.848 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(Br)c1 2186710963 HAIVKJWYKYZQNU-KUHUBIRLSA-N 443.307 4.756 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1Br 2188878863 POFYSDBIJIWEJX-NFBKMPQASA-N 428.418 4.659 10 10 IJCE CC[C@@H](NC[C@@H]1CC1(Br)Br)c1cc(Br)ccc1O 2217996808 LZBDLNOFLFXKJD-GZMMTYOYSA-N 441.989 4.701 10 10 IJCE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CN=[N+]=[N-])CC1 2243909454 ALIJSJCQVCREGY-UHFFFAOYSA-N 447.539 4.853 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 2314932349 MNLTXCSVAXVGCZ-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1 2321698494 WQXQVUNAWFVRHC-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139383 AWKWWNNHUJYOEO-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332141107 ILQJBFZAJYQWAQ-UHFFFAOYSA-N 432.879 4.697 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 15037521 KMOXHAZIGIAZGP-ATVHPVEESA-N 432.954 4.579 10 10 IJCE COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 33309078 PDGHYDGZEFBMQD-MTJSOVHGSA-N 449.894 4.631 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCC)C1=O 33467329 HJUPHFFIBWHMEI-LGMDPLHJSA-N 444.626 4.606 10 10 IJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cc(C)cc(C)c3)c3ccco3)CC2)cc1 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AOVLVXZXDSGHOI-SANMLTNESA-N 437.628 4.817 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CC(=O)O)c(Br)c1 1911992623 WAYYARMXINWLDE-SFHVURJKSA-N 429.358 4.505 10 10 IJCE CCN1CCc2cc([C@H](O)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044715569 VGRWLAZKSJUVHP-LADGPHEKSA-N 440.584 4.603 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@H]2CCCC[C@@H]21 2241004250 JMBKBWCWMRPTLT-HFTRVMKXSA-N 439.394 4.813 10 10 IJCE C[C@H](c1ccccc1O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911051 NPMLMWBLADSYRG-GOSISDBHSA-N 444.531 4.840 10 10 IJCE CC[C@H](NCCOC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2295844488 IOZDAABRNCZAOO-INIZCTEOSA-N 445.398 4.515 10 10 IJCE COc1ccc(C=C2SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c(OC)c1 2313501994 TXPBJGKKTXQJCT-UHFFFAOYSA-N 434.970 4.936 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccccc1 2314831094 CKTLZCLWJPRTNZ-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140232 MZCNDLRMKRPEOT-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE COc1ccc(Br)c(CN[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c1O 2358678206 NHGOXIPVVYLXLR-BOSXTWCSSA-N 432.358 4.637 10 10 IJCE COc1sc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Br 746523814 YLDFNVYOFSTMHL-JYRVWZFOSA-N 426.382 4.921 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc2Cl)C1 800718506 ACDQOIKROOQAOX-HMFYCAOWSA-N 429.996 4.566 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1 1860087877 XZLMFQGJTWNYGM-RGVLZGJSSA-N 428.579 4.956 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2F)sc(C)c1-c1ccccc1 1860747447 JNZGSORLCDBZTC-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE CC1(C)CC[C@@H](NCc2ccc(Br)cc2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155357711 NMMGMDJBNKSOHM-DOTOQJQBSA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cc(Br)ccc2O)CCC12CCC2 2225556068 TZZJNCCPLACDHZ-MRXNPFEDSA-N 425.367 4.567 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1 2293202038 UBUWIVVGCAIMOJ-UHFFFAOYSA-N 429.472 4.731 10 10 IJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314837107 OIGRSCCCOJVBCN-GFCCVEGCSA-N 432.954 4.577 10 10 IJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)c1 2314837258 QEMOCIDZBLCVDF-LBPRGKRZSA-N 432.954 4.582 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1)C(=O)O 2314930744 IPFQCFFPDBQXPF-GOSISDBHSA-N 441.530 4.537 10 10 IJCE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323777490 KKQISQRLOVOBDT-IBGZPJMESA-N 427.547 4.576 10 10 IJCE Cc1ccc(CN2C[C@H](C)N(C(=O)OCc3ccccc3)[C@@H](C)C2)c(O)c1Br 2327801483 SBRMNPOHCPTXOA-IRXDYDNUSA-N 447.373 4.695 10 10 IJCE CC[C@H](N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(Br)ccc1O 390063893 KVZDCTMCURDTEB-FUHWJXTLSA-N 439.394 4.985 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526368347 WMOSWPLLWDRFET-RUZDIDTESA-N 443.547 4.884 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1O 1655654888 ITPNABKDPGVPBB-HNNXBMFYSA-N 446.494 4.577 10 10 IJCE COc1cc(NC(=O)[C@H]2CCc3c(c4cc(Cl)ccc4n3C)C2)cc(OC)c1OC 1858153790 VRLOXGCJIPOZOK-ZDUSSCGKSA-N 428.916 4.601 10 10 IJCE CC[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859916634 CNQITMXBRBXRTE-OAHLLOKOSA-N 428.444 4.816 10 10 IJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C(C)C 2079599846 DVSPMRODCUGFLD-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 2098524845 JCFBFLRJCPGHPF-WFASDCNBSA-N 447.801 4.981 10 10 IJCE CC[C@H](NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159045094 WZFCNHSKOIGXFH-HIFRSBDPSA-N 449.336 4.840 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 2297470345 AUTRWKHVBAPAFK-UHFFFAOYSA-N 429.505 4.663 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O 2314831646 PFUYMPFIROIALQ-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 2321699116 DYKUEKIJJGBOPA-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE COC(=O)c1ccc(C=CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 2327107952 AZGUUZRSBYZJAV-UHFFFAOYSA-N 435.501 4.949 10 10 IJCE CC(C)Nc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641736 AZIKJOPWUIPAHC-UHFFFAOYSA-N 439.519 4.581 10 10 IJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N(C)C)cc2[C@H]2C=CC[C@H]21 14544167 RVPXIPQAKBNDPF-WZOHSFFVSA-N 434.561 4.925 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(c3ccco3)=NN12 33447285 ORPOHEUQQOOAED-DMJUKXFASA-N 440.843 5.000 10 10 IJCE C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 33633611 BANTVKSBZGLEMW-YXHQGMJNSA-N 433.938 4.593 10 10 IJCE O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl 83314881 NJTJUPFSSNUQFH-VGOFMYFVSA-N 427.309 4.679 10 10 IJCE COc1cccc(CN(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1O 770689609 QFBVPWQUIWDSHV-OAQYLSRUSA-N 429.463 4.738 10 10 IJCE CC(C)[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc2nc(O)oc2c1 774467253 QXSXFARXTSJDAF-VWLOTQADSA-N 434.584 4.552 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1O 1559837820 QHQOSMHOVLHAGG-OAQYLSRUSA-N 434.552 4.591 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1O 1865664535 RJNLPUYFGSQLLQ-JYRVWZFOSA-N 441.203 4.512 10 10 IJCE CCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164489 DTECQSAJGJQOAK-UHFFFAOYSA-N 431.511 4.513 10 10 IJCE CC[C@@H](N[C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271270868 KLULFBJSINEXEC-XYPHTWIQSA-N 427.383 4.983 10 10 IJCE Cc1ccccc1N1C(=O)C(=C2C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 2313621553 RBFJAEVURWEERP-UHFFFAOYSA-N 449.601 4.561 10 10 IJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314837673 VQEZKRDAWDMHIV-LBPRGKRZSA-N 425.510 4.535 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Br)cc1 2321664136 BHEZXEGVRCKURK-UHFFFAOYSA-N 427.326 4.825 10 10 IJCE CC(C)CN1C(=O)C(=Cc2ccc(OCCC(=O)Nc3ccccc3)cc2)SC1=S 2331594960 WDZAAYNKAKLZFQ-UHFFFAOYSA-N 440.590 4.951 10 10 IJCE CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2361420069 FSYPRQYBHHLOQS-YOEHRIQHSA-N 439.394 4.843 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14468033 BAQMRKDOPOOFSK-QEEYODRMSA-N 433.335 4.902 10 10 IJCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15045403 XPOSSHIQVGBNLL-COOUDCDJSA-N 447.379 4.678 10 10 IJCE COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnc(-c4ccccc4)o3)CC2)cc1 20988551 SCKMRZOBIHDQGB-DEOSSOPVSA-N 444.510 4.796 10 10 IJCE COc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)OC2CCCCC2)C1=O 40888906 CVMNLCZJIFWVKS-MOSHPQCFSA-N 441.574 4.926 10 10 IJCE CCCNCc1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 382755392 MOKIFGAUNAJZFD-OAQYLSRUSA-N 430.434 4.907 10 10 IJCE Cc1cc(N)c(O)c([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687745577 UMIXVUKYKWLBHH-SANMLTNESA-N 446.503 4.511 10 10 IJCE CCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 702070398 BBQAZSMWNDRWPZ-NFBKMPQASA-N 428.418 4.517 10 10 IJCE CC(C)(C)OC(=O)N(CCCNCc1cc(Cl)cc(Br)c1O)C1CC1 708072732 IVUZUDHZRJYSOZ-UHFFFAOYSA-N 433.774 4.687 10 10 IJCE C/C(=C/c1ccc(Br)o1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 1136480593 RKHZCKVPAFVLKT-QTXHJTIISA-N 447.373 4.719 10 10 IJCE CC(=O)N(c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@@H]1C[C@H]1C 1671652473 OFIXRAWUYHMAAU-UZUQRXQVSA-N 433.508 4.981 10 10 IJCE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C 1705880812 QSEXNTWJGPHVJT-UHFFFAOYSA-N 430.556 4.524 10 10 IJCE Cc1ccc2nc3c(c(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)c2c1)COCC3 1859616542 PBZKZSUDUWRFIJ-UHFFFAOYSA-N 448.478 4.644 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c2nccn2C)cc1 1865952721 BXMICSIWQDDXQZ-CLJLJLNGSA-N 438.575 4.718 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)Cc4ccccc4)nc(C(C)C)n3)CC2)cc1 1867949697 MWKIVCKFPWIGLX-UHFFFAOYSA-N 431.584 4.572 10 10 IJCE CC(C)(O)CCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 1915754322 VGMJOIQMINJXHR-UHFFFAOYSA-N 439.600 4.730 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@@H]2CCCC[C@H]21 2179399582 ZQNTUXPJBJZPOS-XYJFISCASA-N 439.394 4.670 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(O)cc1 2314829002 YFTRUWLBUASASI-UHFFFAOYSA-N 446.553 4.899 10 10 IJCE CCOC(=O)c1ccc(COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)o1 2331594944 UOXVAPLPHKHIAM-UHFFFAOYSA-N 445.562 4.893 10 10 IJCE CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c(CN(C)C)c1O 13512633 OGAZDSQMCUMXHE-UHFFFAOYSA-N 449.425 4.580 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 14473688 BRYDGEOORGKRBH-YZIHRLCOSA-N 446.572 4.740 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 15035559 VKYGDCZMRUEZGL-PDGQHHTCSA-N 428.554 4.963 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 20210579 WJYGVKPMWBYXND-DTRPCSQLSA-N 436.497 4.585 10 10 IJCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1 33329862 NUUVAWWPGXZYFS-PUYZJMEQSA-N 434.521 4.549 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 38642699 DJGXCATUXUQYDA-CMKODMSKSA-N 425.400 4.851 10 10 IJCE CN(C1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1)c1ccccc1C(=O)O 39870016 OICOZLOLXXFOOK-XDHOZWIPSA-N 449.444 4.660 10 10 IJCE O=C1N=C(O)/C(=C/c2c(O)ccc3ccccc23)C(=O)N1c1ccc(Br)cc1 59198124 JFSDCWZXRZWSEP-BOPFTXTBSA-N 437.249 4.815 10 10 IJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2cccc(Cl)c2)no1 726568031 YXTQJUVGGDCBHD-UHFFFAOYSA-N 447.869 4.995 10 10 IJCE CC(=O)c1cc(F)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)c1O 1308048626 AXQNMSOLXBOVMK-INIZCTEOSA-N 428.504 4.753 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(C)cc1C 1857996710 ALOVUSNSUWRIRS-UHFFFAOYSA-N 443.500 4.727 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1c(O)cccc1Br)C2 1922282673 XSVKFXNARGGGSG-GJZGRUSLSA-N 425.367 4.565 10 10 IJCE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(CNC2CC2)cc1Br 2152169739 PWRDBALIFZNYPI-MSOLQXFVSA-N 428.418 4.800 10 10 IJCE COCCNCc1cc(OC)ccc1N(CCN(C)Cc1ccccc1)Cc1ccccc1 2227675569 JOEYGMFCTZMPBZ-UHFFFAOYSA-N 447.623 4.570 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1ccc(Br)cc1I 2239998485 BLBXTSZBWJCYDN-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N2O1 2297347587 KQSFPKZDFYBGFU-UHFFFAOYSA-N 437.883 4.557 10 10 IJCE CCc1cccc2c(C=C3C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c[nH]c12 2297365346 VYRAUPRDDVXJJV-UHFFFAOYSA-N 444.343 4.868 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332141411 VZMSKFZYYKOFEH-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380796937 VPHXMQZKJAGTEC-BHYGNILZSA-N 439.394 4.588 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641834 GUNDFKAFJXMUNN-GLDPYIMESA-N 434.536 4.775 10 10 IJCE COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O 27521749 PYDCMRBOPSEUJW-MOSHPQCFSA-N 432.451 4.686 10 10 IJCE CCCOC(=O)CCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)SC1=S 40939009 OUUQEROUKGMXQR-XMHGGMMESA-N 429.563 4.783 10 10 IJCE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 96924798 XVLKFGKTKIOORI-SSZFMOIBSA-N 428.580 4.984 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1 100313781 VSOSJUHDGNATRH-LPYMAVHISA-N 442.471 4.779 10 10 IJCE Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 108935360 IKXHIZIEUPEGLQ-HNNXBMFYSA-N 430.957 4.642 10 10 IJCE Oc1c(Br)cccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 769232782 LSMUOPFUSDYIOR-OAHLLOKOSA-N 432.293 4.723 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(F)cc4C)c3)CC2)cc1 1872849191 PENNDWHOPPNOGD-UHFFFAOYSA-N 434.511 4.684 10 10 IJCE CCOc1cccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872884505 WAFKZCDIBQSBAS-UHFFFAOYSA-N 445.563 4.668 10 10 IJCE COc1ccc(O)c([C@H](C)n2nc(C3CCCCC3)cc2I)c1 2070176002 ARUNKMUCSVCGDE-LBPRGKRZSA-N 426.298 4.859 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2188878864 POFYSDBIJIWEJX-NZQKXSOJSA-N 428.418 4.659 10 10 IJCE Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1 2293556271 CMNGBPQGQRVJFV-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2C)C1=O 2314769098 SPIMTTLPRBVNCI-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836932 LVNQFISOPWMSLW-LBPRGKRZSA-N 447.379 4.678 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 2321698342 JJHZQDPRYGKXQJ-UHFFFAOYSA-N 438.486 4.868 10 10 IJCE Cc1ccc(CN2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(O)c1Br 2380786511 KTRNJYFUARDREH-PZJWPPBQSA-N 429.402 4.950 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 13639359 OXTIJWWYIAXWHY-CNNODRBYSA-N 439.353 4.748 10 10 IJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 20236114 AXKCFWSVWCFKLZ-VQPMMNKFSA-N 441.846 4.517 10 10 IJCE CN(C)c1ccc(/C=C/c2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3o2)cc1Br 59465518 RPTHUWRLYQCWBE-GQCTYLIASA-N 433.218 4.643 10 10 IJCE CC[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 397828361 XPOSYGATXUISHA-XIRDDKMYSA-N 427.383 4.887 10 10 IJCE CC(C)(C)OC(=O)NCc1ccccc1NCc1cc(Br)cc(F)c1O 715813230 NELFENQLEDADLV-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 726591974 JTGLNQKVJAKFEB-INIZCTEOSA-N 425.504 4.964 10 10 IJCE CC(=O)c1cc(F)cc(CN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)c1O 1307921547 MLHAHHABOCZCJZ-LJQANCHMSA-N 428.504 4.580 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1857991475 FYGBMQPBIBBGAG-UHFFFAOYSA-N 425.941 4.842 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 1858586495 NVACIUKPKKZRDW-SFQUDFHCSA-N 434.380 4.902 10 10 IJCE CC[C@H](N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2144841144 GAIBMYAZPFEIKE-IKICRFKJSA-N 439.394 4.983 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2cc(Br)cc(F)c2O)C1 2156500126 TYBKRBJNOZFMCH-CZUORRHYSA-N 445.373 4.857 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 2314533147 PCAHDYUBJYUSKG-UHFFFAOYSA-N 425.491 4.515 10 10 IJCE Cc1ccc(CNc2cccc(F)c2I)c(O)c1Br 2352694071 QUSMNBRKEDVYMY-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE COC(=O)N1[C@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H](c2ccccc2)N1C(=O)OC 651243 GSMHXXPGJJNLAX-DHIUTWEWSA-N 447.491 4.965 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 9526952 QZFTZEOTTJMALL-RUZDIDTESA-N 449.982 4.705 10 10 IJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1 14550242 ZSIOTUAGFWGCPJ-RQTOMXEWSA-N 438.593 4.942 10 10 IJCE Cc1c(Cl)cccc1Nc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 27817793 LGXDNAVJCRCUAR-UHFFFAOYSA-N 448.017 4.718 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1 59106178 LISUFUNYDLRMRF-MOSHPQCFSA-N 446.434 4.920 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526141111 GTGJBFZBVWQBTM-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CCC[C@H]1CN(Cc1ccccc1)C2 715825852 GFQUQIFFANCRNW-PGRDOPGGSA-N 433.365 4.686 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1OC(F)(F)F 745409317 XEYCUBMCXKVZSL-UHFFFAOYSA-N 447.251 4.785 10 10 IJCE Brc1cc(CNCCc2ccc3c(c2)OCCO3)ccc1N1CCCCC1 1648747202 FFVQFGYBWLXFIQ-UHFFFAOYSA-N 431.374 4.543 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 1967824542 IVUMABZELWUTCG-DJJJIMSYSA-N 445.785 4.687 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080008415 SKUIXZALZCKVAR-SFHVURJKSA-N 449.345 4.803 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cc(C)n(-c2ccc(OC)cc2)c1C 2294034656 RIUACLRLHWAWPL-UHFFFAOYSA-N 446.503 4.569 10 10 IJCE CCOc1cc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)ccc1O 2296938368 CAPIFKVNLLOPEU-UHFFFAOYSA-N 426.542 4.771 10 10 IJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1cccc2ccccc12 2332144660 CJAIQCCRAZDDOB-UHFFFAOYSA-N 427.338 4.802 10 10 IJCE Cc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2352681525 WJASXVKWZOZROH-CQSZACIVSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c(O)c1Br 2352943990 BBPDZOUFAMNHSW-OAHLLOKOSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@@H]2CCN3Cc2ccccc2)c(O)c1Br 2380792778 LZRZOSPRYXLDCK-OFNKIYASSA-N 429.402 4.998 10 10 IJCE Cc1ccc(CN[C@H](C)c2ccc(I)cc2)c(O)c1Br 2380812468 VYMSTMKXIZDYPM-LLVKDONJSA-N 446.126 4.919 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 15037913 HWYBPVAQDGIHBQ-RGEXLXHISA-N 440.590 4.920 10 10 IJCE Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 33617998 VIZMVONYWAFVSZ-FOWTUZBSSA-N 449.985 4.680 10 10 IJCE O=C(NCCc1cccc2ccccc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726613821 PJMJRIJCUIUBRD-UHFFFAOYSA-N 439.506 4.952 10 10 IJCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCCCC3)cc1)O[C@@H](C)C2 730536519 FTRVMCFSUITYOR-OEOAZWSVSA-N 434.580 4.819 10 10 IJCE CC(C)=CCOc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871059976 HGDKTQZOOGLFAA-UHFFFAOYSA-N 433.552 4.931 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4c(C)cccc4C)cc3)CC2)cc1 1872870043 HLRDMRZGTABYMG-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE Cc1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c(O)c1 1952759032 ALDBQXHHODOKDW-GJZUVCINSA-N 429.472 4.539 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 2044760838 QYFSZHRASUEGQG-IGKWTDBASA-N 439.600 4.785 10 10 IJCE CNCc1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2152793160 ZAVAQUCEPCVFQW-UHFFFAOYSA-N 438.360 4.516 10 10 IJCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296755514 GZCOYOFBBXCWSW-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1 2297469564 DCUGTWUYNGUNPO-UHFFFAOYSA-N 439.544 4.821 10 10 IJCE Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 2313559943 CIINUQYVBOVRFU-UHFFFAOYSA-N 434.542 4.879 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(OC(F)(F)F)cc1 2321734341 FURFRLHACWXNMC-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468796 OFUVREVPJWMZBX-IUKKYPGJSA-N 434.536 4.975 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1cccnc1 33414480 ALKVRCKEITYWGW-GRSHGNNSSA-N 436.924 4.814 10 10 IJCE O=C(O)CN1C(=O)/C(=C\c2ccc3noc(-c4cccc5ccccc45)c3c2)SC1=S 39895780 UBYBUGCGVOINAV-YBFXNURJSA-N 446.509 4.934 10 10 IJCE Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(C)n1-c1ccccc1F 105749775 HIFRCDKJVDNDRR-UHFFFAOYSA-N 434.515 4.575 10 10 IJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OCC 206828150 VGUFPTMSMOILAC-NBVRZTHBSA-N 437.583 4.720 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(CNC3CC3)c(Br)c2)C1 323551887 QSGUAHFZXXUGQN-GOSISDBHSA-N 428.418 4.659 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715029272 SERSDGCPOFLTKO-LYHRCORUSA-N 428.418 4.960 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715052842 DAKPJLFXAPGQLS-FHJLPGHOSA-N 429.402 4.993 10 10 IJCE Cn1ccc([C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccc(F)cc2)n1 775628587 CRMQAPMNGFASGS-GCJKJVERSA-N 430.474 4.509 10 10 IJCE O=C(c1ccc(-c2cccc(Cl)c2)nc1O)N(Cc1ccccc1O)C[C@H]1CCCO1 1631219366 UOJMSHGQJIOTKI-LJQANCHMSA-N 438.911 4.635 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 1860085034 HUSBFSYOAQNBQQ-XSFVSMFZSA-N 440.590 4.648 10 10 IJCE O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(N2CCOCC2)cc1 1860087638 LHLHPOIHONZBNC-LDADJPATSA-N 434.945 4.722 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(OC(F)(F)F)c1 1891476050 QHLOBKXNMWMTTM-UHFFFAOYSA-N 436.383 4.788 10 10 IJCE Oc1ccc(Br)cc1CNCc1cc(Br)ccc1Br 2088096289 XAMSKHLWTNPSBN-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)cc1 2293276328 FMJFUFUYBKMIRW-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 2296881733 YGUKYGDQMULRFJ-UHFFFAOYSA-N 426.563 4.542 10 10 IJCE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 2297310335 BEAHTOBNDAUAKH-UHFFFAOYSA-N 448.548 4.939 10 10 IJCE CC(=O)C(=O)COC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 808509490 RSXDQVOWZQEFLK-AATRIKPKSA-N 444.306 4.544 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1O 1655926285 RCIZSNJLIIBQLM-UZUQRXQVSA-N 436.980 4.765 10 10 IJCE CC(=O)N1Cc2ccc(NCc3ccc(N4CCCCC4)c(Br)c3)cc2C1 1657347678 WDABNASDJPEOHZ-UHFFFAOYSA-N 428.374 4.914 10 10 IJCE CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592726 VRIAOKLCCQEWAM-UIMCMNAESA-N 427.547 4.720 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F 1865678322 GJAMBNJVZZODEZ-ZSOIEALJSA-N 440.805 4.714 10 10 IJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873422908 VQXNGIWUEZYBEY-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE Oc1cc(Br)ccc1Cn1ncc(C2CCCC2)c1I 2070249371 SEVLWSVDFZHSHD-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE CC(C)(C)c1nn(Cc2cc(F)ccc2O)c(I)c1C1(C)CC1 2079772143 KEGWDXUKAWIRRE-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(NCc2cccc(Br)c2O)cc1F 2089379374 FYZXFTSOEFZVTO-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Br)ccc2O)CC12CCC2 2176859277 AAZHVQWOKSSUCV-OAHLLOKOSA-N 439.394 4.814 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1 2321591110 CUXFHRNXMFFUFK-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131606 KUIMROXAOQBSCI-UHFFFAOYSA-N 444.167 4.955 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 2305693 GBDYHGFPZJPSBN-OYKKKHCWSA-N 441.531 4.994 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21)N1CCOCC1 14467482 CYINAFNUABUARQ-IVZHQMGZSA-N 445.346 4.998 10 10 IJCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1Cc1ccco1 33808708 BANRUSYBCNUXJL-MOSHPQCFSA-N 444.541 4.929 10 10 IJCE CC1(C)OC(=O)C(=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)O1 59462328 ZLVYPZIINJSHDP-UHFFFAOYSA-N 442.474 4.575 10 10 IJCE CN(c1ccc(CNC2CC2)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 388402539 MUFCCJOXLRJOEM-QFIPXVFZSA-N 428.418 4.802 10 10 IJCE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 715714129 VRNRTZMDQBZSPR-RBZFPXEDSA-N 445.373 4.857 10 10 IJCE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 745780781 VKFOEHBDBHQLGB-MSYCTHLASA-N 425.573 4.922 10 10 IJCE CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccc2ccccc12 769722486 NSXJGAIBBKZGPJ-UHFFFAOYSA-N 438.530 4.684 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](C)C2)n1 1859832837 OUZFYYFDBNNYMN-INIZCTEOSA-N 426.520 4.794 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccc(Br)c3)C2=O)cc1 1865656927 XRJSMAGRQFVWBP-GDNBJRDFSA-N 425.204 4.806 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@H](N)CCSC)sc(C)c1-c1ccc(Cl)cc1 1865920765 SXZVTOQJSCMJED-AWEZNQCLSA-N 426.991 4.573 10 10 IJCE CC[C@@]1(NCc2cc(Br)ccc2O)CCCN(C(=O)OCc2ccccc2)C1 2027855240 MTCAIPBOHGHOSH-JOCHJYFZSA-N 447.373 4.826 10 10 IJCE O=C(O)COc1ccccc1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2053623324 RKQFVIUXIUNZTF-UHFFFAOYSA-N 439.436 4.575 10 10 IJCE CC[C@H](NC[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104259448 DWMNOJNWMMIONW-ZQIUZPCESA-N 427.383 4.841 10 10 IJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 2313683527 ALQQQQXZTXJFRP-UHFFFAOYSA-N 431.467 4.980 10 10 IJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccco3)SC2=S)cc1 2314832110 ZSNDVGOCQAJWPQ-UHFFFAOYSA-N 430.551 4.689 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1OC 2321646755 HCDKHMRXCTVYJS-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O 2321680692 HVIYSJMFYZZKIK-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE Cc1ccc(CN[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352692682 MFKTYEZOKHVZBR-JKSUJKDBSA-N 427.383 4.779 10 10 IJCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2380809182 ADPMVKGVVJTQCN-INIZCTEOSA-N 439.394 4.875 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 14460616 SQVUOGYRHWFBOD-GXJJEBCYSA-N 444.984 4.624 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 33323840 JCFBAKRIZVPZRL-CPNJWEJPSA-N 440.590 4.850 10 10 IJCE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 59386067 KRQOYUAEEVECHN-PDGQHHTCSA-N 448.822 4.991 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 205691876 BCAXOZWICGQGFW-QGOAFFKASA-N 441.534 4.523 10 10 IJCE CC[C@]1(CNCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 388746892 BHVGFRBRSKAOES-HXUWFJFHSA-N 427.383 4.672 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031279 ZKAOJHGDFVUOLN-RBDMOPTHSA-N 428.418 4.960 10 10 IJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858596168 OLSOODGINBZQJH-BLSRSGQLSA-N 441.574 4.966 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 1865671950 VKKUMESVPHGMDU-SFQUDFHCSA-N 427.298 4.807 10 10 IJCE COC(=O)c1c(NC(=O)CCCC(=O)N2CCCCC2)sc(C)c1-c1ccc(C)cc1 1866185374 AILKOVMXOFEWSQ-UHFFFAOYSA-N 442.581 4.940 10 10 IJCE CCCCCOc1cn(CCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675782 IUCAYESJJHTPLC-UHFFFAOYSA-N 441.616 4.548 10 10 IJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1Br 2080005834 NNKFXVIDMXMFOA-LJQANCHMSA-N 449.345 4.803 10 10 IJCE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2243918104 BCAPSXYWYYNYTP-GAJHUEQPSA-N 447.539 4.851 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3OC)SC2=S)cc1 2297580023 HOSHHWLHSKEGFQ-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1C1CCN(Cc2ccccc2)CC1 2318684055 OIKGQMXUYUTSAN-UHFFFAOYSA-N 445.009 4.911 10 10 IJCE O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1 2321629475 OHZINCSEYRYRBA-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE CC(C)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323812934 GIEYRMOIUISOKN-IBGZPJMESA-N 441.574 4.966 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352932693 QCTDEMDTQFARGJ-ZBFHGGJFSA-N 427.383 4.636 10 10 IJCE COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 19643397 GJXPWOLAHKHXHS-JJIBRWJFSA-N 445.494 4.658 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152217 QDGXHJUTSIJAFF-AQTBWJFISA-N 441.534 4.523 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCC(C)C 206855162 YYTXWQHUSVYHOI-AQTBWJFISA-N 437.583 4.576 10 10 IJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)c1C 1083967850 MGWIMUACVZTDRH-BOPFTXTBSA-N 441.325 4.856 10 10 IJCE Cc1cc2oc(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2cc1C 1859707264 MVLMQEPJBDETDJ-UHFFFAOYSA-N 437.451 4.746 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(N2CCCCC2)cc1 1860085730 WPBCMHHWEGAJAB-RCCKNPSSSA-N 438.574 4.854 10 10 IJCE CCOc1cccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)c1 1865670212 OQZGZKPTPGJHES-JJIBRWJFSA-N 428.488 4.937 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 1865677998 NZBVKNWOQLAPEK-FLIBITNWSA-N 427.741 4.731 10 10 IJCE CCCOc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871106360 WGNQGEKHXISFDR-UHFFFAOYSA-N 434.584 4.945 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CC(=O)O)cc2Br)C1 1911889592 WEVKBYUUPNDENY-QGZVFWFLSA-N 429.358 4.505 10 10 IJCE C[C@@H](NCc1c(O)cccc1Br)c1csc(NC(=O)OC(C)(C)C)n1 2051171115 HLCGISZFXUFNFQ-SNVBAGLBSA-N 428.352 4.809 10 10 IJCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(Br)c1 2151081162 UUEZTRBTSIGMQK-QHCPKHFHSA-N 428.418 4.659 10 10 IJCE COC(=O)c1cccc(-n2c(C)cc(C=C3NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 2294046463 PDGHYDGZEFBMQD-UHFFFAOYSA-N 449.894 4.631 10 10 IJCE COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)C=Cc2ccccc2)cc1OC 2296441489 XXGIBAITAVWFPK-JOCHJYFZSA-N 428.488 4.801 10 10 IJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 2297297241 VEDVWEPQEGSNAP-UHFFFAOYSA-N 426.397 4.725 10 10 IJCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 2313631753 ZOYGQQQVEAMIJM-UHFFFAOYSA-N 447.922 4.718 10 10 IJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837848 XOBPNROLWLPXNX-GFCCVEGCSA-N 431.608 4.669 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OCC 2323829840 ZNROLFKPMNZMDQ-UGSOOPFHSA-N 437.583 4.575 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140268 QXJGFOKCTVKULA-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(C)c(Br)c1O 2352675484 HGMQYRZEWFUEAW-GDBMZVCRSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c(O)c1Br 2381132505 BPWRUSNWKPLMDC-SIXLDLHFSA-N 439.394 4.729 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CCC2(F)F)c(O)c1Br 2381135755 VWVMKQOLNCETLB-CQSZACIVSA-N 449.336 4.588 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472920 SRABIDSZDSDXQI-VWKPWSFCSA-N 447.944 4.761 10 10 IJCE N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 20238734 PTDOGEVQIWJLOE-JUVBEIPNSA-N 434.502 4.832 10 10 IJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)CC(C)(C)C)c(OS(=O)(=O)CC)c1 37421018 XRNAUNPLZIGCRN-UHFFFAOYSA-N 440.650 4.682 10 10 IJCE COc1ccc(N2CCN(c3nc(NCc4ccccc4)c4ccccc4n3)CC2)cc1 41151128 WWCMSHRIPBGIQI-UHFFFAOYSA-N 425.536 4.577 10 10 IJCE Oc1cccc2c1[C@H](Nc1cc(Br)ccc1I)CC2 389115676 MBTSHBZSYPTTLD-GFCCVEGCSA-N 430.083 4.859 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccccc1Br 1860074716 GLVQHHNUFPFVIS-MHWRWJLKSA-N 434.336 4.626 10 10 IJCE CC[C@](C)(NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020411 AJNHQMZTJTUWPL-OQRWROFFSA-N 446.547 4.512 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(C3CCCCC3)C2=O)cc1 1873165194 HVUUKISCKFVJHQ-UHFFFAOYSA-N 449.595 4.521 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12)c1cc(Br)ccc1O 2177715508 KDOLRPPMZSCNEL-BZZMCLGOSA-N 439.394 4.983 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352690881 CTMPPVXYEPONHX-HNNXBMFYSA-N 427.383 4.590 10 10 IJCE Cc1ccc(CNC(C)(C)[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352940828 IUDOLTORKMIRAW-OAHLLOKOSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CNC2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131842 SPIHMRLHPVHXDA-GPIMWBBRSA-N 439.394 4.635 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3ccccc3)C2=S)cc1C 34222052 HIWQAFNHXBDDNM-JCMHNJIXSA-N 428.513 4.757 10 10 IJCE CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O 65298406 YTCADAVFPONXCL-QHCPKHFHSA-N 437.584 4.524 10 10 IJCE biogenic COc1ccc(OC)c(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 205950187 WWKVSXBSHLLKTM-XQNSMLJCSA-N 431.467 4.980 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526290844 FAYQBUACEPCZCR-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526505382 SWBJPMRKTXRIDA-XMMPIXPASA-N 446.503 4.620 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O 1646091402 UIZZTWZTBBTXGC-LAUBAEHRSA-N 434.552 4.736 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(Cl)cc1 1857996987 UFPYRHLHUCJDBA-UHFFFAOYSA-N 449.891 4.763 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N(CC)c2ccccc2)sc(C)c1-c1ccccc1 1860747325 DUUXFCXQYXBGPH-UHFFFAOYSA-N 436.533 4.892 10 10 IJCE Cc1cccc(C)c1OCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930797 BCTAXTCWBWQKJT-VWLOTQADSA-N 437.628 4.872 10 10 IJCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689798 MDSUHJBIMNTFCO-DEOSSOPVSA-N 446.507 4.959 10 10 IJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951854692 KGEIYWXFNIDGKJ-QHCPKHFHSA-N 447.487 4.788 10 10 IJCE CCN1CCc2cc([C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044751681 DDDXZKAFBQUBAC-GKVQRAMASA-N 439.600 4.567 10 10 IJCE CC[C@@H](NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159278468 YTZQIOOIGFDDLM-GOEBONIOSA-N 443.382 4.567 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1ccc(Br)cc1I 2240001210 RCEPYTGKLSUXKC-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE CCCCOc1ccccc1C=C1SC(N2CCN(c3ccccc3C)CC2)=NC1=O 2296758958 GMGNRZUOEVFOGE-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2321683194 VBLIUWWNKNTGDA-UHFFFAOYSA-N 433.352 4.813 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 2321734412 SKJAIQAUPZKASG-UHFFFAOYSA-N 432.426 4.961 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c(O)c1Br 2352675543 HNPMCWHQAOFCPJ-WBVHZDCISA-N 427.383 4.587 10 10 IJCE Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)n1-c1ccc(F)cc1 24941065 RKKKYFFYIBDJAE-UHFFFAOYSA-N 446.448 4.609 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(O)cc1 210674943 YFTRUWLBUASASI-KGENOOAVSA-N 446.553 4.899 10 10 IJCE CC(C)CNCc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 312681948 LDKRQZGLTHHMSH-JOCHJYFZSA-N 430.434 4.905 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CNC2CC2)cc1Br 382781155 SMXFXRDCYFSKIW-HXUWFJFHSA-N 428.418 4.659 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1Br 399782960 NRUVBLMLBPKVKL-DSKINZAPSA-N 428.418 4.973 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526190557 KDNBODSXWDISCY-NRFANRHFSA-N 441.842 4.956 10 10 IJCE CC(C)c1nn(Cc2cccc(F)c2O)c(I)c1C(F)(F)F 2079827627 SIQBQRYRRHVJQJ-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)ccc1Br 2180960225 AHICCMLVFBKTMJ-GFCCVEGCSA-N 438.326 4.959 10 10 IJCE O=C(O)c1ccc(Cl)c(-c2ccc(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 2294061366 XPKNKANDRAFQRK-UHFFFAOYSA-N 440.814 4.530 10 10 IJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccccc1 2297347488 ACWSOWRPVHSGKU-UHFFFAOYSA-N 449.532 4.707 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 2297561606 OCZPLIXCNARGQH-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1C 2313557008 QRHZFLXVFCFCBX-UHFFFAOYSA-N 441.531 4.940 10 10 IJCE COc1cc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc(OC)c1OC 2321738467 CBBFRUMNRHRALQ-UHFFFAOYSA-N 426.519 4.600 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccccn1 2323766826 FTAKMUHWEZTGRB-UHFFFAOYSA-N 441.759 4.605 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14548284 GVEMRVDDAMXAFQ-UZINWLIJSA-N 426.516 4.844 10 10 IJCE CCN(Cc1ccccc1)C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 21728005 PPOSXOMIQHIMFI-JOCHJYFZSA-N 435.593 4.870 10 10 IJCE CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(F)cc3)N2)c1O 53363292 QYSZBVSKCOYGSY-NBGIEHNGSA-N 434.467 4.881 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2cccc(OC)c2OC)cc1 205970894 BWQJLVVICPKIKB-HAVVHWLPSA-N 443.503 4.849 10 10 IJCE CCN(CC)C(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586708439 MSZZGEMFKDAWBJ-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N3CCCCC3)cc1)O[C@@H](C)C2 730536511 FTRVMCFSUITYOR-JKFKMHIGSA-N 434.580 4.819 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1O 1307485861 CNQHWDSUSZEYDR-UHFFFAOYSA-N 442.968 4.729 10 10 IJCE CCOCCOC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 1874169221 FSTSSJJMKIAHCT-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE CC(C)(C)OC(=O)N1CC(CCCCNCc2cc(Cl)cc(Br)c2O)C1 1965930286 UXBCBVUZZWUOKM-UHFFFAOYSA-N 447.801 4.935 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080004137 WMECHOKGDMHSBR-QGZVFWFLSA-N 434.378 4.754 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 2102326198 YKGNICHQCCOYFQ-ZDUSSCGKSA-N 447.801 4.935 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2c(O)cccc2Br)CC1(C)C 2115821326 VIWLEBNVDXWELE-AWEZNQCLSA-N 427.383 4.670 10 10 IJCE CN[C@@H](C)c1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)c(Br)c1 2153349380 SRIJJFLQVSOXKN-SFHVURJKSA-N 428.418 4.974 10 10 IJCE CC[C@@H](C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 2240066446 RDNQDHUPPNTXIQ-GOSISDBHSA-N 428.418 4.659 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)c1cc(Br)ccc1O 2279119986 SAXDLPWVIOHWGH-ZBFHGGJFSA-N 449.336 4.840 10 10 IJCE COc1ccccc1N1C(=O)C(=Cc2cccc(OC(=O)c3ccco3)c2)SC1=S 2293993194 XALLEVQQKFQVBI-UHFFFAOYSA-N 437.498 4.913 10 10 IJCE CCOc1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2296509288 CMKNGDOSONWZDB-UHFFFAOYSA-N 427.957 4.531 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2297554555 GETHUDOMMOTXNB-QGZVFWFLSA-N 447.965 4.983 10 10 IJCE COc1ccc(CNC=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 2297732981 UFLRSWNSNFHZEB-UHFFFAOYSA-N 440.528 4.730 10 10 IJCE CCCCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 2314769008 QHYARMOBIMOHJB-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314837672 VQEZKRDAWDMHIV-GFCCVEGCSA-N 425.510 4.535 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 33926491 JBDREQSYKRHYFV-MTJSOVHGSA-N 444.447 4.817 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Sc3nc4ccccc4[nH]3)c2)cc1 39771599 YSAWPKOSRHJRDK-UHFFFAOYSA-N 425.535 4.837 10 10 IJCE Cc1cc(C(=O)CSc2nc(O)c3cnn(C)c3n2)c(C)n1-c1ccc(C(C)(C)C)cc1 1652099901 IVAQUERHGBIHIO-UHFFFAOYSA-N 449.580 4.749 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675575 OZZBLXKAJPCZPY-OEAKJJBVSA-N 442.515 4.856 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1O 1865678014 PASZCFJFRXZEHT-BKUYFWCQSA-N 428.488 4.548 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(Br)cc3O)CCCCC[C@H]12 1967843683 KNDQKXIYPSSBNI-RXVVDRJESA-N 439.394 4.957 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 2044760837 QYFSZHRASUEGQG-IEXUWNMDSA-N 439.600 4.785 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2CN(Cc3ccccc3)CC(C)(C)C2)c1O 2236048663 GBVMMJBADXUCLX-KRWDZBQOSA-N 433.390 4.554 10 10 IJCE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1 2293355672 OCDLKXXQHYEEJR-UHFFFAOYSA-N 448.548 4.939 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)OC1CCCCC1 2314740284 FSKVGKMBWWJZIN-UHFFFAOYSA-N 440.384 4.526 10 10 IJCE COc1ccc(C=CC(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1OC 2328592171 LHMXFURNWFDFJV-UHFFFAOYSA-N 445.519 4.674 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Br)c(OCC)c(OC)c1 2332125761 NKZHPMVGUHRCTG-UHFFFAOYSA-N 444.329 4.838 10 10 IJCE Cc1ccc(CNC[C@]2(C)CC(F)(F)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381134895 JLXUTMCIMRDQCE-SFHVURJKSA-N 449.336 4.588 10 10 IJCE O=C(NN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)c1ccc(Br)cc1 35624564 PRSAQKIBFYLCQM-HASPRUBHSA-N 445.363 4.552 10 10 IJCE COc1ccc(/C=C\C(=O)N2c3cc(CN(C)C)c(O)cc3C(C)=CC2(C)C)cc1OC 101446437 FFYZSTHWUADPBS-LUAWRHEFSA-N 436.552 4.713 10 10 IJCE CCCCOc1ccc(/C=C/C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OC 110355494 CVZYZRLLLLZYNC-NTUHNPAUSA-N 438.568 4.681 10 10 IJCE CCn1c(C2CCN(C(=O)/C=C\c3cc(C)n(-c4ccccc4)c3C)CC2)n[nH]c1=S 209951404 KFRDYJKHVZDJSL-KHPPLWFESA-N 435.597 4.788 10 10 IJCE Cc1cc2c(n1-c1ccc(I)c(Br)c1)CCCC2=O 306031314 NWNYUEODYXNLGD-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526212557 ZWAIECUOJXFHAT-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526291807 NLXPNKKKUBTAJS-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC(C)(C)c1ccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)cc1 586185643 AVBCMFBFKVKEIM-UHFFFAOYSA-N 447.556 4.726 10 10 IJCE COc1ccc(O)c(CNC(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)c1 734016155 BYWGWLJSHJXGSG-UHFFFAOYSA-N 441.534 4.754 10 10 IJCE CC(=O)c1ccc(OCCCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 1265001777 JAFJRDUNFFBQAD-UHFFFAOYSA-N 436.474 4.705 10 10 IJCE Brc1cnc(CNCc2ccc(N3CCCCC3)c(Br)c2)s1 1656829456 WUGPHKVERFDWHR-UHFFFAOYSA-N 445.224 4.948 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccncc2)cc1 1865673767 WDAPMEWWHFFGFK-XSFVSMFZSA-N 434.293 4.687 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1901482588 JEQJEWZICQUOED-HXOBKFHXSA-N 447.539 4.853 10 10 IJCE Cc1ccc([C@H](n2nc(C3CC3)c(N)c2I)C(C)(C)C)c(O)c1 2079002706 NFZJOCWOBHPQQY-INIZCTEOSA-N 425.314 4.597 10 10 IJCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2080000091 PBZNLLLCQXZECT-KRWDZBQOSA-N 437.334 4.659 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2cc(Br)ccc2O)CCCCC1 2098645519 DKZPOOBYYDFLEU-UHFFFAOYSA-N 427.383 4.720 10 10 IJCE CC(C)N1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2296705081 NUVMFVZMCGYFFL-UHFFFAOYSA-N 428.966 4.867 10 10 IJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S 2314741360 XPHSKBMWNLRZNL-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)c1 2321718045 ORVMXXPBFHNCFM-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 2100143 COPJNOMWULXACR-TWJOJJKGSA-N 449.506 4.718 10 10 IJCE biogenic CCC1(CNCc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)CC1 388675393 QVBMGXCTIIDUAJ-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCc3c(c4cc(Cl)ccc4n3C)C1)CC2 1858153548 LMBPATQMYBEQPB-INIZCTEOSA-N 438.955 4.539 10 10 IJCE O=C(N[C@]1(c2cccc(Cl)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952766937 YPOJLMSCMBWLAL-CPJSRVTESA-N 449.890 4.884 10 10 IJCE COc1ccc([C@H](C)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1960171710 QCUZFWSQTRIFQE-KRWDZBQOSA-N 432.520 4.590 10 10 IJCE CC(C)(C)c1nn(Cc2cccc(F)c2O)c(I)c1C1CCC1 2079714882 SDTPPHRQGRXFQG-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE Cc1cc(O)c([C@H](C)n2nc(C(C)(C)C)c(C=O)c2I)cc1C 2080022690 NSCSNPXMHDHQPR-LBPRGKRZSA-N 426.298 4.529 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cccc(Br)c1 2163038939 LFXYKOYECMJPER-IBGZPJMESA-N 434.378 4.610 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2296707796 LJULDSOBAASCOQ-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE N=C1C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352560 ATWVDUBBLLULSU-UHFFFAOYSA-N 439.928 4.663 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=Cc3ccc(-c4nc5ccccc5s4)o3)S2)C[C@H](C)O1 2314488443 XITKZEASRFBLEA-STQMWFEESA-N 425.535 4.636 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 2314765286 ZKUPWFGSVFVOEE-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828377 SIZDDKZVWRTIER-UHFFFAOYSA-N 436.480 4.935 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc1OC)C(=O)O 2314931889 IVWJBQRSZIJGDH-MRXNPFEDSA-N 443.546 4.651 10 10 IJCE COc1ccccc1/C=C1/N=C(c2ccc(OC)c(OC)c2)N(c2cccc(C)c2)C1=O 27521353 PWYODILEEUMVML-RCCKNPSSSA-N 428.488 4.855 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 40859257 UGFYXHPRNSCRAI-UYRXBGFRSA-N 443.546 4.676 10 10 IJCE CC[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311310867 VTZSATOFKOLLPE-KRWDZBQOSA-N 427.383 4.843 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526176413 YGXPICFFVSSYTG-QHCPKHFHSA-N 448.494 4.966 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)c1O 1460931106 IBOJCYBVBAPBGR-OAQYLSRUSA-N 434.552 4.591 10 10 IJCE CCS(=O)(=O)c1cc(Cl)ccc1/N=N/[C@@H]1C(=O)N(c2ccccc2Cl)N=C1C 1615944736 LMWSAURFZQEQPB-SIUCFOQUSA-N 439.324 4.662 10 10 IJCE CC[C@H](C)N(C(=O)COc1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917136 LHFIOGKGMXBNHX-SFHVURJKSA-N 427.500 4.981 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675499 LFBWYVYUROWXEV-UDWIEESQSA-N 434.879 4.897 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(OCC(C)C)cc3)C2=O)cc1 1872956032 ADSSEMVOJQZFCT-UHFFFAOYSA-N 430.504 4.971 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)[C@H]1C(C)(C)C 1877308825 ZDPBKZOGUQPNHD-RDJZCZTQSA-N 427.383 4.668 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 35147044 RGGIYBYNDNBENF-CJLVFECKSA-N 445.544 4.971 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 1860084050 BLBBDYYYLLHJMP-XDHOZWIPSA-N 443.550 4.855 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(F)cc1 1860759536 VKKXFTBARWYDJX-CXAGYDPISA-N 446.544 4.673 10 10 IJCE CCN(CCCOCc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2035642205 DVEGQULGVZGIIK-UHFFFAOYSA-N 439.600 4.995 10 10 IJCE CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1 2296754972 YCWHUTSTGHWFOG-UHFFFAOYSA-N 438.574 4.818 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 2297335499 ULLBGOIUFVBQNS-UHFFFAOYSA-N 449.981 4.912 10 10 IJCE O=C(C1=CN(c2ccc(F)c(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 65096282 DQTCFBCHHVVKSG-UHFFFAOYSA-N 441.311 4.522 10 10 IJCE COc1ccc([C@@H](C)Nc2cc(I)ccc2Br)c(O)c1 383488691 WGQTWILEXXNZTQ-SECBINFHSA-N 448.098 4.941 10 10 IJCE C[C@H](Nc1ccc(I)cc1Br)c1cc(O)ccc1O 388507837 HEJJNJXZPULPQJ-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526296119 FETSSXPIQLDABX-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526362745 FKBMCJYSLLNVJF-XMMPIXPASA-N 446.503 4.620 10 10 IJCE COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCc2cc(C)n(-c3ccccc3)c2C)c1 761571994 KJNMDTTWPQEUSG-GOSISDBHSA-N 435.568 4.661 10 10 IJCE CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2)cc1 1134682150 XVSUWNVAGQNBCY-AREMUKBSSA-N 445.563 4.780 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2cn(C)c3ccc(OC)cc23)SC1=S 1858596551 WBRNAXMVLBOWOQ-DEDYPNTBSA-N 431.627 4.510 10 10 IJCE C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865933352 NGEDWTDCORSYHB-MBSDFSHPSA-N 429.992 4.517 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNCc1cc(Cl)cc(Br)c1O 2139854513 BLRBBAMEHVXOOE-OAHLLOKOSA-N 447.801 4.933 10 10 IJCE Cc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1O 2204609572 HNVUUFPLYLRNDU-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 2313682721 JJFMVHQDHHUVCJ-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1)C(=O)O 2314931198 MFSKJYYMCGBXHC-KBXCAEBGSA-N 427.547 4.891 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 206256885 COEZPVQDDGEYRX-LDADJPATSA-N 429.519 4.588 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3N=C([C@H](CC)c4ccccc4)SC3=NC2=O)ccc1O 254290336 JBPXUODMBAZFAP-FWPQHASISA-N 434.521 4.604 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526362335 CABXXZKKQULSMR-VWLOTQADSA-N 443.547 4.884 10 10 IJCE CC[C@@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708193348 VHRDIYGKAJBIDA-LSDHHAIUSA-N 433.774 4.686 10 10 IJCE Cc1cc(Br)c(O)c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 766460178 VFYLGZYFQWAFOR-UHFFFAOYSA-N 441.373 4.984 10 10 IJCE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 778222167 PWURORRRSXWBNP-INIZCTEOSA-N 446.517 4.932 10 10 IJCE CN(C)c1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC2(c3ccccc3)CC2)cc1 1083575045 XRBVCEPLUMHEIJ-JWQCQUIFSA-N 440.543 4.850 10 10 IJCE Cc1ccc(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166569 DDWBNOLBTGHISD-UHFFFAOYSA-N 427.548 4.681 10 10 IJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCC2)C1=O 1873170049 MKHVZFJPAKTCIC-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNCc3cc(Cl)cc(Br)c3O)C[C@H]21 2140715906 BKVPEGDZUBWZDG-SGIREYDYSA-N 445.785 4.543 10 10 IJCE CC(=C1SC(=S)N(c2cccc(C(=O)O)c2)C1=O)c1cccc(Br)c1 2296882243 LVRDGPKVTWCQLS-UHFFFAOYSA-N 434.336 4.943 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1 2321683173 MZUOLVGFLYNXEJ-UHFFFAOYSA-N 448.982 4.722 10 10 IJCE Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(C)C)c(O)c1Br 2352678610 FWFWFLCEZLPGQW-ZBFHGGJFSA-N 429.399 4.738 10 10 IJCE Cc1ccc(CNC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352691499 GDZCUPCEYVJXTP-FZNQNYSPSA-N 427.383 4.636 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1OC 39870059 KYNWDVILKZSWEQ-NDENLUEZSA-N 440.521 4.963 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3C)c2)SC1=S 40938151 NSIYDILVSIXHAV-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OCC 40938432 NLEFNCFQPHIHBJ-JXAWBTAJSA-N 437.583 4.720 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2ccc(F)cc2)cc1 205967296 KESSNLGGGILIFG-PXLXIMEGSA-N 446.438 4.880 10 10 IJCE CC[C@H](NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311993588 QJBOZRYLJIPZLE-LXZKKBNFSA-N 427.383 4.889 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 401528613 VGHLNUQTWFNTKG-NVXWUHKLSA-N 427.383 4.983 10 10 IJCE CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)cc2)CC1 731115974 IIRVGOBZTDQSEQ-HXUWFJFHSA-N 434.584 4.610 10 10 IJCE COc1ccc(Cl)cc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1308302572 DGOFMNKLKBGHDY-UHFFFAOYSA-N 448.144 4.589 10 10 IJCE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684504 LTXVLCIMTXTUHM-MRXNPFEDSA-N 448.523 4.806 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 1860085629 GJHJQLIMPNAABW-XDHOZWIPSA-N 427.551 4.842 10 10 IJCE COc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c(OC)c1 1865679159 YGJHVMCRUDHJNL-JYRVWZFOSA-N 442.796 4.840 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c2nccn2C)cc1 1865931562 HRDWQWUEFJNECJ-RUZDIDTESA-N 448.611 4.848 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4c(C)cccc4C)c3)CC2)cc1 1872845961 FUMQBIQYWHFMIB-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421636 INWFQSMHUJFLJI-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2ccc(Br)cc2O)C1 2100267598 XREUJCBAZQLTSE-PBHICJAKSA-N 427.383 4.718 10 10 IJCE C[C@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@@H](C)CN1Cc1ccccc1 2152187169 PPTQHOIOFXCVHD-IRXDYDNUSA-N 429.358 4.646 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c1 2313502171 XWDCMLMZRGYJRB-UHFFFAOYSA-N 434.970 4.936 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)CC)C1=O 2314414454 ZMTCLFSKMCMRIR-OAHLLOKOSA-N 444.626 4.605 10 10 IJCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837857 XPOSSHIQVGBNLL-GFCCVEGCSA-N 447.379 4.678 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(OC(F)(F)F)cc1 2321734465 GFYRRZIKCMQLDF-UHFFFAOYSA-N 439.436 4.762 10 10 IJCE CCOC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C 9572261 NHPJHVTYGLGPMJ-UHFFFAOYSA-N 429.929 4.648 10 10 IJCE C[C@H](CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)NC(=O)c1ccccc1 11967744 NXRMQCOQJIIVAW-XHCCPWGMSA-N 438.527 4.960 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 13058359 COEZPVQDDGEYRX-PDGQHHTCSA-N 429.519 4.588 10 10 IJCE C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(OC)c3)cc2)SC1=S 33430097 VBHCOVNBRSZZMU-QNGOZBTKSA-N 441.574 4.930 10 10 IJCE CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 33525822 JBWPQTOQXZZMKR-XCGHDDSDSA-N 448.390 4.570 10 10 IJCE CCOc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3ccccc3O)C2)cc1 53363482 MEVLCJFKESGBDB-ILBGXUMGSA-N 430.504 4.800 10 10 IJCE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)SC2)cc1 72413110 HWCQJOQNYKGAPE-GOSISDBHSA-N 443.370 4.932 10 10 IJCE CC[C@H](NC[C@]1(C)CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 311434880 SNELFGDBTMGBGV-JXFKEZNVSA-N 427.383 4.985 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 388874533 QFWFNZJEHWIASN-LEVJEWGPSA-N 429.358 4.648 10 10 IJCE Cn1ncc(Br)c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O 779204729 RYJWGJWBHOWLDN-CXUHLZMHSA-N 430.352 4.742 10 10 IJCE Brc1cc(CNc2cccc(Cn3cncn3)c2)ccc1N1CCCCC1 1655643716 PCGMVLKYHPWOIM-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1I 1857624626 MXAPXFKMUOVWDZ-UHFFFAOYSA-N 431.277 4.627 10 10 IJCE CCc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)s1 1858348605 MRPAOZFURGGALK-UHFFFAOYSA-N 446.576 4.596 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865673233 WTXNWGHYRFBXCD-PXLXIMEGSA-N 446.478 4.682 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2ccc(Br)cc2O)CCCCC1 2098648457 MTJYOECVUOGIGK-UHFFFAOYSA-N 427.383 4.720 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2NCc2cc(Br)ccc2O)C1 2156249939 DKOYUEVKPNDSEF-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE CCCN[C@H](c1ccccc1O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256694192 LXUZIULCHJGRFS-HSZRJFAPSA-N 440.584 4.887 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(C)c(Cl)c3)C2=O)c1 2293665844 OAJLYOOKAMETJU-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(CCC(C)C)C3=O)cc2c1 2314648167 RXOCZDZCMNNIKC-UHFFFAOYSA-N 441.622 4.627 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)c1 2321635484 WLBWMRFJHVZJCN-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OC 2323746213 XUZXPVPLJBEDBL-UHFFFAOYSA-N 429.563 4.894 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100140 PRSPQHBTVUKOAN-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE Cc1ccc(CN[C@@]2(CNC(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)c(O)c1Br 2380805836 RPQUIJSWERSUDU-WDUKFBBWSA-N 439.394 4.636 10 10 IJCE C[S@@](=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 11967364 UMJRVTZWHMEWGS-FKAPRUDGSA-N 429.541 4.943 10 10 IJCE COC(=O)c1c(O)c(/N=N/c2cccc(Cl)c2Cl)c(O)n(-c2ccccc2)c1=O 39140218 ISZJSSMLIDTVSN-GHVJWSGMSA-N 434.235 4.758 10 10 IJCE Cc1cc2c(n1-c1cc(Br)ccc1I)CCC[C@H]2O 311596264 YUMHJYGFQSEDQZ-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526140991 BDKHDDFKSXFKOJ-XMMPIXPASA-N 447.487 4.952 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 763964725 SPWZBMLNNWPBON-UHFFFAOYSA-N 427.526 4.718 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1OCC 1860086727 DDNBMDBRLKAUNZ-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)ccc1O 1860087835 VXVSPVKHPYYGQK-OVCLIPMQSA-N 427.425 4.705 10 10 IJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(F)cc(F)c1O 1952144955 ZLPVUOIMQAVEDX-DEOSSOPVSA-N 439.414 4.509 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c(Br)c1 2190538895 BFRSKLJNUGQBMV-DZCCDHAISA-N 429.402 4.989 10 10 IJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)CCCOCc3ccccc3)cc2)CC1 2258193762 PHHJDCVDFCQICE-DEOSSOPVSA-N 440.584 4.774 10 10 IJCE Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O 2294335086 XGGXKKBPFRZYPT-DEOSSOPVSA-N 434.586 4.689 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(c3ccccc3)=NN12 33417814 VZKGYRLPAYRLIN-ONNBZHDSSA-N 443.444 4.522 10 10 IJCE CN(C)c1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1 65061184 PWKFCMVRKNWEBL-UHFFFAOYSA-N 432.955 4.970 10 10 IJCE Cc1cc(CCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(C)n1-c1ccccc1 748022044 MRPDDLMXMHIRSP-OAQYLSRUSA-N 445.611 4.556 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 781635359 HKGBGWSCYRNKCG-KSFYIVLOSA-N 434.374 4.878 10 10 IJCE COc1cnc([C@H]2CCCN2C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)nc1O 1640131838 AGOVJIMKIOZZPO-HXUWFJFHSA-N 446.511 4.650 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(CCc3ccc(F)cc3)C1=O)cn2C 1858591699 WDNTVZNOEJSZQO-RGVLZGJSSA-N 426.538 4.770 10 10 IJCE Cc1cc(I)ccc1NN=NC1CCN(C(=O)OC(C)(C)C)CC1 1860495559 HARJOXYXKGXULO-UHFFFAOYSA-N 444.317 4.778 10 10 IJCE CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666110 DGTMTYTYENMAII-CXUHLZMHSA-N 447.304 4.884 10 10 IJCE CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC(F)(F)F)c(Br)cc21 2152198409 SHNOGOMEBUDTLX-QGZVFWFLSA-N 442.279 4.621 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 2297470700 WAPBMRGFEBUOJX-UHFFFAOYSA-N 431.443 4.584 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c(C)c1 2313560229 NILMIRXARYDCHA-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 2313682892 NHFSPDGCLISBBD-UHFFFAOYSA-N 429.495 4.692 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3cc([N+](=O)[O-])ccc3C)C(=O)N=C2S1 32964197 KYNPKMLDDLTSDK-SAIIIAOYSA-N 436.497 4.503 10 10 IJCE COc1cccc([C@@H]2CN(Cc3ccccc3O)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 169679051 ZOVRWWPLUBEOTM-NOZRDPDXSA-N 438.612 4.757 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1 226705833 DZWFCMAGOOXVNO-WHSBFGAESA-N 446.572 4.687 10 10 IJCE CCCN[C@H](C)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 706700937 PWIONMSLAZMGSM-GOSISDBHSA-N 428.418 4.832 10 10 IJCE CCOc1ccc(O)c(CN[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)c1 727836668 AIRTYTXCGCEUJI-MHECFPHRSA-N 425.573 4.534 10 10 IJCE O=C(/C=C\Sc1cc(F)ccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 797852113 QDYNAYKIYIBGFK-XFXZXTDPSA-N 440.462 4.957 10 10 IJCE CC(=O)CCc1ccc(OCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 1524253345 FBOMDAPMDXDWAK-SFHVURJKSA-N 442.987 4.793 10 10 IJCE CC(C)Oc1ccc(CC(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1 1859096543 RYHHFLYWAAKXHR-UHFFFAOYSA-N 431.536 4.973 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@H](N)C(C)C)sc(C)c1-c1ccc(Br)cc1 1865915521 JTBARKDCKYUAQA-INIZCTEOSA-N 439.375 4.585 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)sc(C)c1-c1ccc(C)cc1 1866093611 RWKSNVOEXMBWBU-UHFFFAOYSA-N 426.450 4.685 10 10 IJCE CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870846569 MZZPXNAAHVAQQB-UHFFFAOYSA-N 449.551 4.802 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)c3ccccc3)cccc21 1874180491 AZLMGIRJSHPQMO-LEWJYISDSA-N 435.479 4.866 10 10 IJCE CC(C)(C)OC(=O)Nc1ccccc1CNCc1cc(Br)cc(F)c1O 1962855041 ZXPOMYVHWAACFT-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE Oc1ccc(F)cc1Cn1nc(C2CCC2)c(C(F)(F)F)c1I 2079694383 QGSCNFYODIDISU-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)C[C@@H]2CCCC[C@H]21 2240999432 BFEYKEJIIOEFHJ-RLFYNMQTSA-N 439.394 4.813 10 10 IJCE CCCOc1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2293535012 FCMVALLIZPKKMG-UHFFFAOYSA-N 441.984 4.921 10 10 IJCE COc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)c1 2296755466 AWYIYAAVBPCJDG-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE O=C1C(=Cc2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 2297299208 IYSMXLJBJZZJJI-UHFFFAOYSA-N 435.324 4.759 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 2297534613 BMYIIDAWCVIHOI-UHFFFAOYSA-N 429.563 4.894 10 10 IJCE CCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 2314732787 ZDUPOMIURLUCKL-UHFFFAOYSA-N 448.909 4.831 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)ccc1O 2321681333 DZRHKGLDVPVQLR-UHFFFAOYSA-N 426.302 4.803 10 10 IJCE Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(C)C)c(O)c1Br 2352678606 FWFWFLCEZLPGQW-GDBMZVCRSA-N 429.399 4.738 10 10 IJCE CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469131 XRCZNYLOLYGZOV-JVNPVLLESA-N 434.536 4.975 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 20701924 BIAXQGBMKLSUSC-ZOCZFRKYSA-N 445.346 4.998 10 10 IJCE CCCOc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 101373757 BEDYUXPPYMTMIQ-PGMHBOJBSA-N 441.984 4.921 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12 104575735 WZARZCDKLIEJMQ-YCWTWADVSA-N 441.472 4.690 10 10 IJCE CCc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cn2)c1 107718376 QYPQTKOUUIHXMK-UHFFFAOYSA-N 432.524 4.799 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C)cc(C)c1 205946247 YSLHUBRJCDDAKK-RCCKNPSSSA-N 434.521 4.565 10 10 IJCE O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 254813441 MTBVXVAMYRQPPU-ZOIUQBIQSA-N 449.601 4.593 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1cccc(Br)c1O)C1CCCCC1 387897743 ASYDRFAKCFPSAW-KRWDZBQOSA-N 427.383 4.718 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058962 SIPROZNIZAWARD-NQSCKRDGSA-N 429.402 4.993 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 1473503095 FLOMRNZALQTXQT-MSOLQXFVSA-N 434.552 4.593 10 10 IJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873164625 KFUPLOSTZFTVHE-UHFFFAOYSA-N 431.536 4.747 10 10 IJCE CCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422599 FNJNDTDQNQJEBK-UHFFFAOYSA-N 427.504 4.509 10 10 IJCE CCN(c1ccc(CNC2CC2)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 1915026242 MTAVILCQIOOEJH-QFIPXVFZSA-N 428.418 4.802 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2078984261 QMONCRDHUNCPAV-KRWDZBQOSA-N 441.357 4.719 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@H](CNCc1ccc(Br)cc1O)c1ccccc1 2175022458 LFGNNYVLGKCGFO-GOSISDBHSA-N 435.362 4.853 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 2313682498 DLXQXVOEQCAKKY-UHFFFAOYSA-N 429.495 4.692 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932899 PUIIVPOIBFRDEK-NSHDSACASA-N 449.937 4.606 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C1=O)cn2C 2321643985 LLRSSORYEIMBOK-UHFFFAOYSA-N 439.518 4.809 10 10 IJCE COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C)c2C)C(=O)N=C1O 59860615 WXVVFQYCLWFEDA-GDNBJRDFSA-N 429.270 4.581 10 10 IJCE Oc1cccc2c1[C@@H](Nc1ccc(Br)c(I)c1)CC2 311625001 AIUZSPUNULYYHP-ZDUSSCGKSA-N 430.083 4.859 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1Br 399782961 NRUVBLMLBPKVKL-QFUCXCTJSA-N 428.418 4.973 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(Br)c1O 761012005 QRPAOCIXOAMSHL-NTEUORMPSA-N 436.352 4.565 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(Cc2cnn(C)c2)c2ccc(Br)cc2)c1O 1620569500 HVHCQTNMTXFODE-UHFFFAOYSA-N 448.748 4.951 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 1624892546 KDDQEKUNQCHONQ-JQIJEIRASA-N 436.499 4.858 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)c1ccc(N2CCCC2)cc1 2044731534 WGQUWEIBNQFAPJ-VWNXMTODSA-N 440.584 4.820 10 10 IJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044756098 HSXLPTBQCKALNA-RPWUZVMVSA-N 439.600 4.657 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163333399 HEJDPPLVACRWTF-JPYJTQIMSA-N 428.418 4.832 10 10 IJCE COc1ccc(C=C2N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1 2296196249 DXFVHKVEMKRQJT-UHFFFAOYSA-N 440.322 4.749 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1O 2297556054 JRYSSUIVCHCDTC-UHFFFAOYSA-N 435.263 4.602 10 10 IJCE C[C@@H]1CN(C2=NC(=O)C(=Cc3ccc(-c4nc5ccccc5s4)o3)S2)C[C@@H](C)O1 2314488439 XITKZEASRFBLEA-CHWSQXEVSA-N 425.535 4.636 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929737 QXTOTXGAULVUFS-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 2332134905 XSASPFVLTKWCDG-UHFFFAOYSA-N 440.780 4.610 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCOCC1 14470915 JYQBDQKTXFRFTK-QYWGDWMGSA-N 439.899 4.547 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 39870153 JMFAANPTPZXSRC-XDHOZWIPSA-N 449.444 4.724 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1 226675729 GEENEKORTDYGQL-SLSDLSHTSA-N 431.580 4.832 10 10 IJCE CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 254746472 UNFCESMBQAQIPR-UHFFFAOYSA-N 430.508 4.983 10 10 IJCE CC(C)CNCc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1Br 312681950 LDKRQZGLTHHMSH-QFIPXVFZSA-N 430.434 4.905 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CNC2CC2)cc1Br 382781154 SMXFXRDCYFSKIW-FQEVSTJZSA-N 428.418 4.659 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)cc1 526163129 IYEKNOHGBDSKNK-XMMPIXPASA-N 440.455 4.712 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1cc(Br)cc(F)c1O)C1CCCCC1 715714737 YHKAEMUGRXCTER-KRWDZBQOSA-N 445.373 4.857 10 10 IJCE Cc1ccc(NCc2cc(Br)cc(F)c2O)cc1I 715739075 WGZIIPVNBZMADB-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE O=C(Nc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1)OCc1ccccc1 781957406 XBDJGECIONAINV-UHFFFAOYSA-N 431.492 4.524 10 10 IJCE Brc1cc(CN2CCC(OC[C@H]3CCCO3)CC2)ccc1N1CCCCC1 1474669469 FCBAJDWZLPXJRA-HXUWFJFHSA-N 437.422 4.599 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3NCCC3=CCCCC3)c2)CC1 1625314669 MFEUOGRLEGOTSG-UHFFFAOYSA-N 446.595 4.910 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(nc3O)CCCCC4)cc2Cl)C1 1626168756 FGYMSZAKIUYMAB-MRXNPFEDSA-N 427.976 4.876 10 10 IJCE COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(C(C)C)cc4)c(O)n3)CC2)cc1 1858505945 DHSYRPPDOLFSFE-UHFFFAOYSA-N 432.568 4.540 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087546 FWMXIBWSMBMFQX-YRNVUSSQSA-N 432.426 4.961 10 10 IJCE CCCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1Cc1ccccc1 1862321860 DVGVOSLFWRQJAQ-UHFFFAOYSA-N 449.510 4.912 10 10 IJCE CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2090351209 WJNFPWPMMFOOAB-OCCSQVGLSA-N 441.288 4.651 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)[C@@H]1C(C)(C)C 2192482149 YSYNWFUPGAHWGA-NVXWUHKLSA-N 445.373 4.808 10 10 IJCE N=C1C(=Cc2ccc(OCCCOc3ccccc3Cl)cc2)C(=O)N=C2SC=CN12 2297357762 IEKVVVMIODQUSC-UHFFFAOYSA-N 439.924 4.965 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314827505 GLFKTTYQGMEODM-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)cc1OC 2332124484 GZYTTWICYYSALZ-UHFFFAOYSA-N 442.515 4.933 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCCC[C@@H]23)c(O)c1Br 2380797576 INLDVIFKOIFDGC-BBWFWOEESA-N 439.394 4.731 10 10 IJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 33326831 GRLMJFOHOMPAJA-MJOZVEEZSA-N 447.585 4.837 10 10 IJCE CCOC(=O)c1c(C)oc2cc(Br)c3oc(=O)c(-c4ccccn4)cc3c12 71195064 BZKCTKSFHXETSJ-UHFFFAOYSA-N 428.238 4.849 10 10 IJCE CN(C)c1ccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 226772993 RDWAEWFPYHPZTI-AREMUKBSSA-N 430.504 4.591 10 10 IJCE CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@@H](C)C3CC3)c(Br)cc21 385525019 WIKLWPAGJGKKSJ-LHSJRXKWSA-N 428.374 4.857 10 10 IJCE CCNCc1ccc(N(C)CC2CCN(Cc3ccccc3)CC2)c(Br)c1 719965333 SQIJTIZRQUDDJU-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)cc1 1534017144 HUOHMWFLFXEXLP-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCSC1 1705590887 YVWKPDIXDSRITF-QFIPXVFZSA-N 443.620 4.569 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CCCN(CC)CC)C2=O)cc1OCC 1858589383 OTYYEGKDYJADME-CAPFRKAQSA-N 436.643 4.807 10 10 IJCE COc1cccc(O)c1[C@H](C)n1nc(C2CCCCC2)cc1I 2070173695 OYFFSVULRXPJPQ-LBPRGKRZSA-N 426.298 4.859 10 10 IJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C=O 2079951553 UKZSTYCUPUSBIK-KRWDZBQOSA-N 438.309 4.575 10 10 IJCE CCCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CC3)c(Br)cc21 2152259179 MCDNRODAACWBEZ-NRFANRHFSA-N 428.374 4.859 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(NCc3cc(Br)ccc3O)cc2C1 2234138040 LKPVJEURAKPZRY-SFHVURJKSA-N 433.346 4.759 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2296881784 AFJBDNLDXMXUPT-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 2297470002 VPVJCJICJZCGAX-UHFFFAOYSA-N 435.553 4.768 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1Cl 2313631647 ULXQWRWHENDUNS-UHFFFAOYSA-N 447.922 4.718 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)c1 2321683356 LBXKFASORKAYQP-UHFFFAOYSA-N 449.937 4.550 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(NC(C)=O)cc3)C1=O)cn2C 2321743454 GFONHALAUJKHOG-UHFFFAOYSA-N 437.546 4.551 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c(O)c1Br 2352683203 FVTGBVZAXGRYKP-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE CC(C)(C)C1(C)OC(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)O1 1409234 HFXNLWXNERUZNM-UHFFFAOYSA-N 446.503 4.526 10 10 IJCE Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1NC(=O)c1nsc2ccccc12 8599973 NCPBPYJWLWYBGP-UHFFFAOYSA-N 444.560 4.853 10 10 IJCE CCc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 20210795 MLGWCRFTXPFNJD-NSTMVBSBSA-N 443.507 4.846 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)[C@H]1C[C@@H]1C 1637350413 WBKQOBKNRBATMP-LMKMVOKYSA-N 429.520 4.920 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NCc2cc(Cl)cc(Br)c2O)C1 1918923803 RQQYDLQNPYYGNR-OAHLLOKOSA-N 445.785 4.687 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3ccc(Br)cc3O)[C@H]1CC2 1967862058 DWJALBSFPCGGBF-GVDBMIGSSA-N 425.367 4.565 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2cc(Br)ccc2O)CC1(C)C 2228492823 ALAIQAUJZISYOO-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c1O 2236043906 NHGOXIPVVYLXLR-MIALQEHNSA-N 432.358 4.637 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1C 2313560271 OKLLCJKEMWZFEC-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1OC 2332115188 WMIHAFOFSXGDNP-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE CCC1(CNCc2ccc(C)c(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 2381145279 DBNSUJMQEFVEBW-UHFFFAOYSA-N 441.410 4.980 10 10 IJCE C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(OC)cc3)c2)SC1=S 33430286 QYKVAYHPZPFYLI-PGMHBOJBSA-N 441.574 4.930 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc2c1C(=O)c1ccccc1C2=O 103872530 KEYZWJXCYQYBCG-DEDYPNTBSA-N 441.874 4.834 10 10 IJCE Cc1cc(C(=O)N2CCCc3ccnc(O)c32)c(C)n1-c1ccc(Br)cc1 1470617933 RCDMLXRCXOOXJZ-UHFFFAOYSA-N 426.314 4.550 10 10 IJCE CCCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1862321786 AIHUNTADPVMABV-UHFFFAOYSA-N 435.483 4.853 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)CCC2(c3ccccc3)CCCC2)c2nccn2C)cc1 1866229013 UFCLEIRBLOLDGI-RUZDIDTESA-N 430.596 4.984 10 10 IJCE CCCOC(=O)COc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234240 NRTRJPWMUJPPGP-UHFFFAOYSA-N 449.551 4.946 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2144841147 GAIBMYAZPFEIKE-QXRTWZOPSA-N 439.394 4.983 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935587 UECWHXDCUZBRNF-YFVAEKQCSA-N 429.402 4.851 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)cc1Br 2151099791 VQFSNDSOQQAQMP-HXOBKFHXSA-N 429.402 4.993 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2ccc(Br)cc2O)CC1(C)C 2228502077 NRJUJYJXNOJAFR-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE CCN(CC)c1ccc(C=C2C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 2297500203 RMZGPMSBRCHDEN-UHFFFAOYSA-N 447.564 4.539 10 10 IJCE CC(=O)c1cnc(Sc2cc(I)ccc2Br)s1 2300846237 GKLDXFHSGIOSEG-UHFFFAOYSA-N 440.125 4.864 10 10 IJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)c1C 2313548124 MGWIMUACVZTDRH-UHFFFAOYSA-N 441.325 4.856 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)OCC)c3ccccc3)C2=O)c1 2314769978 XMKSFDLGPHGUMJ-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE COc1ccc(CN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2323745178 KJRFTCQDXDDYKH-UHFFFAOYSA-N 435.983 4.768 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134710 BTQPAZMUABYJCV-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140285 SIBAOOLNAIPMPM-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1OC 20071075 IDHCTMARSZRIQK-RXFWQSSRSA-N 446.503 4.969 10 10 IJCE COc1cccc2c1OCC(/C=C1\SC(N3CCC(Cc4ccccc4)CC3)=NC1=O)=C2 33515951 KVGIEXSZDDDLLZ-KQWNVCNZSA-N 446.572 4.939 10 10 IJCE COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 39861661 KBDNDDBSAYIZSQ-GDNBJRDFSA-N 434.336 4.642 10 10 IJCE COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nccc(C(F)(F)F)n3)c2C)cc1 45800579 FYSZXCJHTBHWJM-UHFFFAOYSA-N 449.454 4.665 10 10 IJCE COCCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 54620229 NVRYLEYRTOKLKB-HSZRJFAPSA-N 428.488 4.945 10 10 IJCE O=C(CN1CCC(c2nnc3ccccn23)CC1)Nc1ccc(N=Nc2ccccc2)cc1 255578004 WMBQUUBLHRQGGW-UHFFFAOYSA-N 439.523 4.963 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1O 1167750109 SPSSPDRZUQALMG-GOSISDBHSA-N 425.287 4.644 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1OC 1860083944 HCDKHMRXCTVYJS-OVCLIPMQSA-N 436.898 4.671 10 10 IJCE CC(C)C[C@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865898689 ZQNVLJHQOFJXSW-XMMPIXPASA-N 441.531 4.509 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccccc3OCC(C)C)C2=O)cc1 1872958279 YPONRXBILBQMAU-UHFFFAOYSA-N 430.504 4.971 10 10 IJCE CCN(CC)c1ccc(CNCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1 1941537166 ZPADBORNWZWVDZ-UHFFFAOYSA-N 427.589 4.991 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1984694765 KPVFNELUAMVZJU-ROUUACIJSA-N 447.539 4.853 10 10 IJCE COc1cc(C=C2SC(N3CCCCC3)=NC2=O)cc(Br)c1OC(F)F 2042454597 KGBYXSDFTUVEOZ-UHFFFAOYSA-N 447.301 4.515 10 10 IJCE CC(C)(C)c1c(C2CCC2)nn(Cc2cccc(F)c2O)c1I 2079797470 IGWZIVCAANVJMC-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(CNC2CCC2)cc1Br 2240011273 QYIUOPIVUWKNTI-GOSISDBHSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)ccc1NCc1cccc(Br)c1O 2268578538 QURKPCOFIADWAH-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE Cc1cc(C=C2NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12 2297560583 PWDWKJLJCWMUEQ-UHFFFAOYSA-N 440.366 4.697 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2cccc(OC(F)(F)F)c2)C1=O 2321734276 QOJDVHLHFDLQSZ-UHFFFAOYSA-N 435.452 4.947 10 10 IJCE CCCCN(Cc1ccccc1)C(=O)/C(=C/c1ccc(N(C)C)cc1)n1ccccc1=O 6026194 UIBBMBIJQIJLMJ-QQTULTPQSA-N 429.564 4.741 10 10 IJCE CCc1nc2cc(Cl)ccn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71448646 HHDIMKHGNGWNAP-UHFFFAOYSA-N 429.863 4.578 10 10 IJCE COc1ccc(-n2cccc2/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 104575762 VFFOXEINJTYZKN-ONWPUYBOSA-N 426.501 4.790 10 10 IJCE CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 526157698 IRTSGTWORYRDAF-XMMPIXPASA-N 446.478 4.720 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(S)ccc1O 687742321 SRNVLOHSZRQDAN-OAQYLSRUSA-N 435.501 4.735 10 10 IJCE COc1c([N+](=O)[O-])cc(N2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1Br 776807789 YIYXDZFAHYIREN-GHMZBOCLSA-N 440.250 4.845 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 781631353 QRMAKGAIWJXDGP-INIZCTEOSA-N 446.389 4.570 10 10 IJCE CCCOc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1 1859100845 LJASUHPFGNVJME-UHFFFAOYSA-N 431.536 4.724 10 10 IJCE O=C(O)c1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1860085653 HVDVYCFCNZPBMU-VGOFMYFVSA-N 438.299 4.692 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1OCC 1860086787 HJQYVPFSYMUCGY-UDWIEESQSA-N 445.562 4.907 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CC(NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 2102638555 UUYIOVRCIIRTNY-STQMWFEESA-N 445.785 4.543 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2210542391 XIQBFTZSHYTNAU-VABKMULXSA-N 447.539 4.897 10 10 IJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1 2296398095 SGLXTYFFVRLTFK-SFHVURJKSA-N 427.504 4.716 10 10 IJCE Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)c(C)c1 2296938415 LDEJFCCQRSTIPC-UHFFFAOYSA-N 431.536 4.659 10 10 IJCE Cc1cccc(C)c1N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314532403 IXAKIPCRIJUILP-UHFFFAOYSA-N 445.363 4.794 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccccc3OC)C2=O)cc1OC 2323759230 ACDVZIBDAUDQQT-UHFFFAOYSA-N 429.563 4.894 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccccc2[N+](=O)[O-])cc1 2332144732 JKEBXNKVHRDSNH-UHFFFAOYSA-N 427.460 4.742 10 10 IJCE CC[C@@]1(C)[C@H](NCc2ccc(C)c(Br)c2O)CCN1C(=O)OC(C)(C)C 2352683705 JZXMEBLQAVYSNZ-QRWLVFNGSA-N 427.383 4.731 10 10 IJCE CC(C)NCc1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1Br 382787603 ZTCXPPXOYJOJCB-HXUWFJFHSA-N 430.434 4.905 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@@H]43)C[C@@H]2C)cc1 504213778 GLLBRMNOAAYUEN-XHBLTBECSA-N 438.612 4.664 10 10 IJCE biogenic CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2ccc(Br)cc2O)c1 687629177 REJVZMBQKJHGMG-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE COc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ncccc12 771275333 AVUGNLZGNZTRJV-UHFFFAOYSA-N 442.466 4.635 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 799331682 ZBRFJENQDVNRHU-UHFFFAOYSA-N 435.505 4.835 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(=O)C(C)(C)C)cc2)N2CCCCC2)cc1 1866220838 DLIXGAPLZAOXTP-DEOSSOPVSA-N 435.612 4.938 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)cc1 1872882321 DKVDGZWZQJSGIY-NRFANRHFSA-N 429.564 4.508 10 10 IJCE O=C(CCSCc1nc2ccccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179201 SVLOAFXAACVCGS-UHFFFAOYSA-N 441.512 4.600 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951650850 NLGALBQOVWNDHT-OAQYLSRUSA-N 433.460 4.542 10 10 IJCE CC(C)CNCc1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)cc1Br 2152212305 YWMHMLLKGJDECJ-QFIPXVFZSA-N 430.434 4.905 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OC 2321741657 ACEQIJDARQYXMH-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE COc1ccccc1CN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323759244 BIUKAZJRYZELKE-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 2323886589 JELQHMUZHSJTOQ-IBGZPJMESA-N 439.562 4.633 10 10 IJCE CCCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)O1 59336831 JFRQAKATZVIIJF-UHFFFAOYSA-N 439.464 4.954 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\N3CCN(c4ccc(F)cc4)CC3)SC2=S)cc1Cl 59397486 FBZSBAOYHILOBU-CPNJWEJPSA-N 447.988 4.816 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)c1C 59860197 GWJJDTMEDHTWMP-RGEXLXHISA-N 448.479 4.709 10 10 IJCE COc1ccc([C@@H](NC(=O)Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2nccn2C)cc1 96990957 UMMRRXKYYDQGKW-AREMUKBSSA-N 442.563 4.593 10 10 IJCE CCOc1c(Cl)cc(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 108429346 IEYGNRXIFBDKNA-IZZDOVSWSA-N 444.959 4.508 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3cc(-c4ccccc4)nc4onc(C)c34)CC2)cc1 108430411 HDARRYKWWHVTMV-UHFFFAOYSA-N 442.519 4.559 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526456795 RMCNMUHRKFZGFH-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 742523871 HHNOMSWWTNNULR-UHFFFAOYSA-N 445.592 4.725 10 10 IJCE CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCN(C)[C@H]3c3cccs3)cc2)CC1 743600629 PWFCRBBZQYMBPB-XUZZJYLKSA-N 440.657 4.867 10 10 IJCE CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 745649782 XUHNAXQXKBJXLS-VGOFRKELSA-N 429.536 4.501 10 10 IJCE Cc1nc(NCC(=O)NCc2cccc(Cl)c2O)c2cc(-c3ccccc3)sc2n1 1457038180 VOGMVAODWQMIRZ-UHFFFAOYSA-N 438.940 4.754 10 10 IJCE CCCN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1942390882 MUMARGXCYWGTIQ-CDNPAEQRSA-N 428.573 4.932 10 10 IJCE NCc1cc(F)c(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260526 FNXLLHDIICYBCC-UWJYYQICSA-N 432.381 4.538 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2234716288 UHDLOKJTPGGXSJ-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE Cc1ccccc1OCCOCCOc1ccc(Cl)cc1C=C1SC(=S)NC1=O 2297306641 NFGSSDUZTZUQFN-UHFFFAOYSA-N 449.981 4.612 10 10 IJCE O=C1C(=Cc2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 2332097809 FADXKXXJUJZEKG-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2ccc(C)cc2)N=C1c1ccccc1 2332141226 NWYAFCPCGLJBSD-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n(-c2ccccc2)c(=O)c1C#N 98065001 ZIBOJPXIXDGANU-BYYHNAKLSA-N 438.491 4.539 10 10 IJCE C/C(NCCc1ccc(F)cc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205949794 VRIYYEJIJDWNBO-HAVVHWLPSA-N 444.466 4.591 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2cccc(C)n2)cc1 205959864 GLJARODJKXGCKB-HAVVHWLPSA-N 428.492 4.544 10 10 IJCE CC(=O)c1cccc(N2C(=O)C(O)=C(c3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1 526437434 SQUOPSMTWATADZ-XMMPIXPASA-N 440.455 4.839 10 10 IJCE CC[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 721929512 JLRRDBJEVJIJTJ-WBVHZDCISA-N 427.383 4.841 10 10 IJCE CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1F 743599989 YALFOKJRLXCXQG-XMSQKQJNSA-N 432.609 4.616 10 10 IJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 1860087765 SICYRZOTMNYSOJ-FRKPEAEDSA-N 436.352 4.872 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3)CC2)cc1 1872884489 VFKKJLUSCXWYNR-UHFFFAOYSA-N 449.982 4.601 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1998331058 MTYAPUAWILYWSO-ZIFCJYIRSA-N 433.346 4.653 10 10 IJCE Oc1cccc(Br)c1Cn1ncc(C2CCCC2)c1I 2070247446 ZLLREWCOEZUGHT-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE Oc1cccc(F)c1Cn1nc(C2CCC2)c(I)c1C(F)(F)F 2079005825 QGZVRFTZMFTYPK-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 2296166959 JDUMASRULRUNTO-UHFFFAOYSA-N 443.450 4.511 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(O)cc1 2296882081 IHBBBGHKJJWLIC-UHFFFAOYSA-N 432.592 4.854 10 10 IJCE CCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2c2ccccc2)cc1OC 2332114050 NMHJRPPSBDPROX-UHFFFAOYSA-N 443.341 4.896 10 10 IJCE Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1Br 2380786512 KTRNJYFUARDREH-TZIWHRDSSA-N 429.402 4.950 10 10 IJCE Cc1ccc(CN2CCCN(Cc3ccccc3)CC(F)(F)C2)c(O)c1Br 2380789460 JVLOQPCXEOGZLS-UHFFFAOYSA-N 439.344 4.806 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c(O)c1Br 2380796549 SYQRWCIREJBQBS-ZOCZFRKYSA-N 439.394 4.588 10 10 IJCE COc1cc([C@H]2OC(c3cccc(C)c3O)=NN2C(C)=O)ccc1OCc1ccccc1 64567445 ZOLYTYOMTSTJRH-RUZDIDTESA-N 432.476 4.527 10 10 IJCE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1 71963984 OIZXZDZHAURHKO-AWEZNQCLSA-N 425.381 4.630 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3ccc(C(=O)O)cc3)=NC2=O)cc1OC 210563191 JGOYYEBBTMDBCC-CPNJWEJPSA-N 426.494 4.655 10 10 IJCE Cc1cccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687734242 SZOFUXMYLBAXOE-AREMUKBSSA-N 431.488 4.929 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC2(CCCCC2)C1 741975828 WECJFXJFWPJSPS-VKAVYKQESA-N 434.652 4.912 10 10 IJCE CC(C)N(C(=O)c1cc2ccccc2oc1=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859891654 JZUPOLSSSIMPQM-UHFFFAOYSA-N 437.451 4.624 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccccc2[N+](=O)[O-])cc1 1865677901 JKEBXNKVHRDSNH-PXLXIMEGSA-N 427.460 4.742 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC(C)C)c3)C2=O)cc1 1872957064 VMRONZQCOVGFLW-UHFFFAOYSA-N 444.487 4.502 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C=O)c1I 2079997453 CTQKBQYGKSHPHL-MRXNPFEDSA-N 438.309 4.890 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)CCC1(C)C 2099902758 UEYRNUBYUMWQQD-CQSZACIVSA-N 431.346 4.562 10 10 IJCE C[C@H](N)c1cnc(Sc2cc(I)ccc2Br)s1 2300804927 HRKOZIMIDBTOPU-LURJTMIESA-N 441.157 4.681 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)CC)C1=O 2314414241 TYYAHXFZBPRGJR-OAHLLOKOSA-N 444.626 4.605 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3cccc(OCC)c3O)SC2=S)cc1 2321591047 HSABUWWROJBXCM-UHFFFAOYSA-N 443.546 4.764 10 10 IJCE CSc1ccc(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 2321684659 DDGOBUQCZJZCFI-UHFFFAOYSA-N 441.647 4.566 10 10 IJCE COc1cccc(C=CC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 2329480874 DDPBJGALWDOGFX-UHFFFAOYSA-N 425.484 4.925 10 10 IJCE Cc1ccc(CNC(=O)c2ccc(OCc3ccccc3)cc2)c(O)c1Br 2380744211 IPTLNDRQSAIXGI-UHFFFAOYSA-N 426.310 4.972 10 10 IJCE Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1Br 2381136111 AVKZVCGNDYADNQ-HSZRJFAPSA-N 429.402 4.951 10 10 IJCE O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 2933474 DPKSPQQUYUXLGF-NTEUORMPSA-N 427.345 4.891 10 10 IJCE CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(OC)c3)SC2=S)c1 40859644 RCXNEBGXXQAYSU-UNOMPAQXSA-N 443.546 4.676 10 10 IJCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 248158219 ZYCNREOBHHGVJZ-UHFFFAOYSA-N 449.620 4.980 10 10 IJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 250237248 OWEFMRKDYCJYMI-RQTOMXEWSA-N 431.561 4.729 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 250246909 LCJPYXXTZXYWQZ-USKVXJDGSA-N 444.984 4.624 10 10 IJCE CC(C)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)cc1 586215672 APEKQBPCHCKQFA-UHFFFAOYSA-N 439.920 4.719 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031281 ZKAOJHGDFVUOLN-WEYGHZABSA-N 428.418 4.960 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)cc1)C1CC1 1465274024 ZYXSTKGLCPVHOG-UHFFFAOYSA-N 443.547 4.978 10 10 IJCE CC(=O)c1c(C)nc(C)nc1SCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C 1472973564 GPJSFXPCWOUDQG-UHFFFAOYSA-N 428.945 4.727 10 10 IJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)N(C)C)cc1 1858593886 BYTIWOOODACAPY-WAKXPGHKSA-N 448.997 4.558 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1OCC 1865665373 PSZQVLYKJBDPLZ-BOPFTXTBSA-N 436.405 4.967 10 10 IJCE COC(=O)c1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1 1865675639 SFHBCNPYLDMTMN-HMMYKYKNSA-N 446.890 4.970 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(C3CC3)C2=O)cc1 1873170498 BWNRDPPBSJUIDT-UHFFFAOYSA-N 439.559 4.559 10 10 IJCE CCCN[C@H](C)c1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1Br 1916381571 JBKUETDZNHZVSB-XLIONFOSSA-N 435.406 4.524 10 10 IJCE CCNCc1ccc(N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1Br 1921464898 VJHWBRKOIWUHSL-OALUTQOASA-N 430.434 4.905 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 2042763585 LISRNXGJQRUPMY-GOSISDBHSA-N 433.774 4.545 10 10 IJCE Cc1ccccc1COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2293582607 LHZKMIHMUYRLPJ-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131790 FVBNKZNSRZCIPZ-UHFFFAOYSA-N 440.499 4.840 10 10 IJCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c(Br)c1 2357090725 BFRSKLJNUGQBMV-MXBUBSDBSA-N 429.402 4.989 10 10 IJCE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C)c(Br)c1O 2381136458 GNTLJQNGJCNASM-DLBZAZTESA-N 441.410 4.978 10 10 IJCE CCCCCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 2286779 HNKATMCHKXLPKE-CJLVFECKSA-N 445.588 4.897 10 10 IJCE O=C(COc1cc(Cl)ccc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 24046482 ZHLAOPUZPKLINU-UHFFFAOYSA-N 426.255 4.786 10 10 IJCE CCc1cccc2c(/C=C3\C(=O)N(C)c4ccccc43)cn(CC(=O)N3CCCCC3)c12 33561409 STNWQBPKQKMOGN-KQWNVCNZSA-N 427.548 4.733 10 10 IJCE Cc1cc(-c2csc(NC(=O)CCOC[C@@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 107611927 DFBFJMWTOQVNEK-IBGZPJMESA-N 443.544 4.881 10 10 IJCE C[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 708173912 ZLZJPSBUVLWXSP-FZMZJTMJSA-N 433.774 4.686 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)cc1)C1CC1 1641599814 HUAWVTRPYTYQMQ-UHFFFAOYSA-N 429.520 4.983 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 1653308065 IZEVSTNIOMMXRD-FQEVSTJZSA-N 433.335 4.850 10 10 IJCE COC(=O)c1c(NC(=O)CCCC(=O)N2CCCC2)sc(C)c1-c1ccc(C)cc1 1866189110 AZRGPGMLGNKVEH-UHFFFAOYSA-N 428.554 4.550 10 10 IJCE CCC[C@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867015316 JWZFORULBFIJIB-ZHRRBRCNSA-N 446.547 4.512 10 10 IJCE CN(C)c1ccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1937209028 IPAMDQGZZOZIIJ-UHFFFAOYSA-N 445.563 4.703 10 10 IJCE CC(C)(C)OC(=O)NC1(CCCNCc2cc(Cl)cc(Br)c2O)CC1 2059128075 XJKJLSOLWATITM-UHFFFAOYSA-N 433.774 4.735 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C=O)c1I 2079970307 QFPYAXYAATXIHJ-HNNXBMFYSA-N 426.298 4.745 10 10 IJCE CCC(Nc1ccc(C)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 2293963647 GARPRCDQRVEIAB-UHFFFAOYSA-N 434.521 4.647 10 10 IJCE Cc1c(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1C 2294229329 KSZQETHGWXNBHM-UHFFFAOYSA-N 444.343 4.625 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc4ccccc4c3)N=C2C)ccc1OCC(=O)O 2296827820 QBTQEHFHCSBNMB-UHFFFAOYSA-N 430.460 4.508 10 10 IJCE CC(C)n1ncc2cc(C=C3CCn4c3nc3cc(Cl)ccc3c4=O)c(Cl)nc21 2297435383 DEMDSLAZWOFDID-UHFFFAOYSA-N 426.307 4.973 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccccc2O[C@@H](CC)C(=O)O)SC1=S 2314931668 HFPSAFTYAAURPN-KRWDZBQOSA-N 427.547 4.897 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100097 KAVVUUGOXJEHER-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE CCCOc1c(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cccc1OC 2332118560 ZJNTZEJZNVFMHN-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352950890 ZIKRIDXCFYTJEC-HOCLYGCPSA-N 427.383 4.636 10 10 IJCE COC(=O)c1c(O)c(/N=N/c2cc(Cl)ccc2Cl)c(O)n(-c2ccccc2)c1=O 35951918 KYBHXHWTFWQVNO-GHVJWSGMSA-N 434.235 4.758 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\C(Cl)=C\c1ccccc1 39870372 BDSFDYJKSPUQOL-XXXONXIBSA-N 427.932 4.741 10 10 IJCE c1ccc(-c2cnc(SCCCc3nc(-c4ccncc4)no3)n2C[C@@H]2CCCO2)cc1 71844550 FKDGHPWKTLQEAF-FQEVSTJZSA-N 447.564 4.899 10 10 IJCE CCC(=O)Nc1cc(N[C@@H](C)C(=O)OC)ccc1N=Nc1ccc([N+](=O)[O-])cc1Cl 255973824 GGCPAZJYAXHGMU-NSHDSACASA-N 433.852 4.986 10 10 IJCE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708077383 SEKLMUXTWAYDNO-AWEZNQCLSA-N 435.790 4.837 10 10 IJCE COc1ccc(N(Cc2ccccc2)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 761673389 ZKUHSTTWGHDZAA-UHFFFAOYSA-N 448.544 4.961 10 10 IJCE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)cc([N+](=O)[O-])c1O 768181076 TUCWUOYHNNBZLN-UHFFFAOYSA-N 445.825 4.822 10 10 IJCE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1 778913948 HIXQWYKDJQPFSL-CJAUYULYSA-N 449.547 4.917 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)C(C)C 1293316637 FXYJVUCADZPXSH-UHFFFAOYSA-N 431.536 4.916 10 10 IJCE Cc1cc(C(=O)Nc2cccc3nc(O)[nH]c23)c(C)n1-c1cccc(Br)c1 1641878537 KZGYSUHCEBGPBI-UHFFFAOYSA-N 425.286 4.691 10 10 IJCE Cc1c(OCc2ccc(Br)cc2)c(=O)ccn1CCCOc1ccc(N)cc1 1857919755 VYLLLEQKVMIRCS-UHFFFAOYSA-N 443.341 4.550 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CNC3CC3)cc2Br)C1 2169169365 YNZFNCSYKHFYLV-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE CN(CC[C@@H](NCc1cccc(Br)c1O)C(C)(C)C)C(=O)OC(C)(C)C 2278586265 JXTYUZSLFRGHBC-MRXNPFEDSA-N 429.399 4.916 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 2314764400 BKXYKPYXVCGVRH-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE Cc1ccc(CN[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1Br 2352693642 QLFSNJRPUWUJRH-HOCLYGCPSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2380796959 VRKYHARCTCBPKZ-IIBYNOLFSA-N 439.394 4.732 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CCC2(F)F)c(O)c1Br 2381135754 VWVMKQOLNCETLB-AWEZNQCLSA-N 449.336 4.588 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 20699946 LCJPYXXTZXYWQZ-JEBQKTDQSA-N 444.984 4.624 10 10 IJCE CC[C@@H](NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 311434882 SNELFGDBTMGBGV-OXQOHEQNSA-N 427.383 4.985 10 10 IJCE CC(C)(C)OC(=O)NCCc1ccc(CNCc2ccc(Br)cc2O)cc1 691394147 AWNFYDQWWWLZKS-UHFFFAOYSA-N 435.362 4.512 10 10 IJCE CCc1cccc(CNc2cc(I)ccc2Br)c1O 691474531 QQCYDCMOHOEJLE-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE COc1cnc([C@@H]2CCCN2C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)nc1O 1636885025 RYEHKOPMZRTZJO-NRFANRHFSA-N 434.540 4.699 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccccc4Cl)cc3)CC2)cc1 1872883865 AQSQDIFEXLRKOV-UHFFFAOYSA-N 435.955 4.923 10 10 IJCE CN(c1ccc(C=CC(=O)O)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 1911852103 JMCYGBWGKOMDAO-HXUWFJFHSA-N 429.358 4.648 10 10 IJCE COc1ccc([C@H](C)n2nc(C3CCCCC3)cc2I)c(O)c1 2070173415 KPLMNQKSLYUHGS-LBPRGKRZSA-N 426.298 4.859 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(N)c2I)cc1C 2079976617 ADNPLGBKXPLJSM-QGZVFWFLSA-N 425.314 4.515 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(Br)c1 2151077223 XKXQSEUTCXLTII-UZUQRXQVSA-N 428.418 4.960 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1 2173445436 RXTLGRGZUOGFHQ-IBGZPJMESA-N 433.365 4.971 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1 2296803767 GYMDKMPTECUYCK-UHFFFAOYSA-N 441.487 4.519 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(C)nn(-c2cccc(Cl)c2)c1O 2297455731 ISZCCPHIAJJMOU-UHFFFAOYSA-N 427.291 4.999 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2)N1CCc2ccccc21 20679598 HNEIPQCQUGHJHU-DRLORSAXSA-N 444.556 4.970 10 10 IJCE CN1CCc2cc([C@H](CC(=O)O)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 686858548 AHQVCWQKWZKCJR-DEOSSOPVSA-N 442.515 4.733 10 10 IJCE COCc1ccc(O)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753425 BKJRWONWKALOKC-HSZRJFAPSA-N 447.487 4.593 10 10 IJCE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 791884255 KSDZZUBKYZMAKI-WRHZYCJSSA-N 448.557 4.529 10 10 IJCE CCN(CC)c1ccc([C@H]2NCCc3nc4c(OCc5ccccc5)cccn4c32)cc1 821244156 WRWHLQKQOLVJHP-RUZDIDTESA-N 426.564 4.995 10 10 IJCE CC(C)N1CCN(c2cccc(NC(=O)c3cccc4nc(O)n(CC(C)(C)C)c34)c2)CC1 1624597092 ZFEYZRXUVNSUSL-UHFFFAOYSA-N 449.599 4.571 10 10 IJCE CCc1ccc(OCCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865937111 AOVLVXZXDSGHOI-AREMUKBSSA-N 437.628 4.817 10 10 IJCE CC[C@H]1CC[C@H](NCc2cc(Br)cc(F)c2O)CN1C(=O)OC(C)(C)C 2102264418 IYENJEKYXCCLNG-GJZGRUSLSA-N 431.346 4.562 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158895726 SIXZHKUEJASOAF-YQYZPQCESA-N 439.394 4.841 10 10 IJCE CCn1cc(C=C(NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21 2297359355 MHFPQOBQYXLBGA-UHFFFAOYSA-N 425.488 4.614 10 10 IJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3ccccn3c2=O)SC1=S 2314414729 KFYBXIWLSAESAF-HNNXBMFYSA-N 444.626 4.544 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)cc2)SC1=S 2314761279 RGEGXJIDNCKGQV-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCOCC1 14470917 JYQBDQKTXFRFTK-GCKMJXCFSA-N 439.899 4.547 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]2CC=C[C@@H]32)CC1 20709659 IOEGDKLRBYRHNF-PDOGEWKWSA-N 433.508 4.999 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1cc(C(F)(F)F)ccc1Br 770540355 MELFBZURRCDLKW-UHFFFAOYSA-N 429.236 4.557 10 10 IJCE COc1cccc(OC)c1OC1CCN(Cc2cc(C)cc(Br)c2O)CC1 781897149 CWQHJPKNTBHDAX-UHFFFAOYSA-N 436.346 4.524 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 1532249802 LKGTUIHOFQSSIE-UKTHLTGXSA-N 431.721 4.857 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccncc1Br 1653349249 NWYGZUFVSMGHOO-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE CCc1sc(NC(=O)c2cc(C)[nH]n2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866051172 PGCBQAMXOMUIJM-UHFFFAOYSA-N 448.342 4.810 10 10 IJCE COc1cc(Cl)c(C)cc1N1C(=O)C(O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1872958057 PHUVTHKSNQRFNF-UHFFFAOYSA-N 436.895 4.907 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251802 COSBOMVJDHKPHN-WCAVRKLYSA-N 429.402 4.993 10 10 IJCE NCc1cc(F)c(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260524 FNXLLHDIICYBCC-LAUBAEHRSA-N 432.381 4.538 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c1 2314831133 DBMSCZSNBNBTIG-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNCc1cc(Cl)cc(Br)c1O 2330513658 JACZNXYZMWAHMK-PEYYIBSZSA-N 445.785 4.686 10 10 IJCE O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 2332139366 YXTJLRZORBTYJO-UHFFFAOYSA-N 447.288 4.982 10 10 IJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14550782 BXTIYAIIMHBUJP-JTAQYXEDSA-N 439.537 4.596 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 59535743 SYOUUJFAANWGMW-WJDWOHSUSA-N 427.243 4.920 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Cl)cc1 96468534 FUTFITPKMAYNIU-CAPQHAMJSA-N 437.883 4.768 10 10 IJCE O=C1/C(=C/Nc2ccccc2C(F)(F)F)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 105302260 GZNBXKFAQDPUGN-FMIVXFBMSA-N 444.291 4.875 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526222383 UEAXMIXXDZCZTH-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 687238481 RMDWUHGZSCZIIG-SZPZYZBQSA-N 428.418 4.802 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)ccc1N1CCCCC1 1656503993 KDFAWWNJJOYCHZ-DENIHFKCSA-N 430.390 4.844 10 10 IJCE CNC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1866192394 HGBFIUDAZMQHEL-QZTJIDSGSA-N 442.581 4.618 10 10 IJCE CC[C@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1869214218 PDPDBHDNUBRFDV-QFIPXVFZSA-N 443.595 4.858 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]12)c1cc(Br)ccc1O 1925998303 ZXIOHTOOGCNNNI-OWLYRPNTSA-N 439.394 4.983 10 10 IJCE CC(C)(C)c1c(C2(C)CC2)nn(Cc2c(O)cccc2F)c1I 2079798622 HVOYPAOJTHJWQJ-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE O=C(OCc1ccccc1)N1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 2089115760 DOOLODSAIZFQHE-LJQANCHMSA-N 435.351 4.980 10 10 IJCE COc1ccc(Br)c(CNc2ccc(C)c(I)c2)c1O 2236050239 CHVOKPSFVNNWEG-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 2294134186 WCECZPPCRFVFPZ-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313559096 QZVBHDHDWWJUCA-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc(Cl)cc2)C1=O 2314831315 IFFNCTJYSWIGMC-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)ccc1OCCC(=O)O 2314933582 BSBZKULIHZVVLE-UHFFFAOYSA-N 443.546 4.653 10 10 IJCE COc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 10910371 HYNZRMMPLPPZOB-DEOSSOPVSA-N 428.444 4.982 10 10 IJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479632 LWXFTLBKTRDOKY-RSOWOLOUSA-N 442.581 4.607 10 10 IJCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 206294041 HDOKSRJPFCTDJP-XMHGGMMESA-N 426.563 4.720 10 10 IJCE COc1ccc([C@@H](C)Nc2ccc(I)cc2Br)c(O)c1 312544726 IOMUIGFKYBEDSW-SECBINFHSA-N 448.098 4.941 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526190562 KDNBODSXWDISCY-OAQYLSRUSA-N 441.842 4.956 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCc1cc(Br)cc(F)c1O 715815722 ZMTULROKHVTIHW-CVEARBPZSA-N 431.346 4.609 10 10 IJCE Cc1cc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)n1-c1ccccn1 727412206 CDJDWISHPMGYOW-HSZRJFAPSA-N 448.954 4.731 10 10 IJCE Brc1cc(CNCC[C@@H]2COc3ccccc3O2)ccc1N1CCCCC1 1202868406 HKJXNTIFKYWWND-GOSISDBHSA-N 431.374 4.759 10 10 IJCE Cc1cccc(C)c1OCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 1859889079 JYXBVPVWSSTQCW-UHFFFAOYSA-N 427.500 4.899 10 10 IJCE CC[C@@](C)(NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020409 AJNHQMZTJTUWPL-CHAGWJKLSA-N 446.547 4.512 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 1923157474 CBALSTGWTZSWOX-UNEWFSDZSA-N 427.383 4.841 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(CN)c2I)cc1C 2079972251 RWZVIGCCHRVARX-GOSISDBHSA-N 441.357 4.638 10 10 IJCE Cc1cccc(CNC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1O 2204611538 RGSGQDPJZWFHIN-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cn1 2296730175 CPECJFRGQSXSAU-UHFFFAOYSA-N 438.361 4.618 10 10 IJCE COc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296754974 YEXLXHBFFKLAFM-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)c(Br)cc1OC 2296908829 VFRLPGSMPNRWSP-UHFFFAOYSA-N 429.314 4.971 10 10 IJCE COc1ccc(OCCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 2297347382 RUPSYQFWRFUBPD-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(O)cc2)C1=O 2297554609 KVRAWKTVWVOQJW-UHFFFAOYSA-N 438.574 4.959 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 2313682509 DVMXQCPPAHJSMN-UHFFFAOYSA-N 448.306 4.654 10 10 IJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S 2314769229 OVIBWUWKDSGMAF-IBGZPJMESA-N 427.547 4.589 10 10 IJCE O=C1/C(=C/c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1cccc(Br)c1 3000061 ZYPHAZLVDBLXLV-OVCLIPMQSA-N 426.295 4.602 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 14466629 YFVIWWKOABGUEL-SEYDDUDXSA-N 444.984 4.624 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OCCOc3cc(C)ccc3C)c(OC)c2)SC1=S 33419720 HVHHKKLAFHVTLH-KGENOOAVSA-N 443.590 4.991 10 10 IJCE COc1ccc(N2CCN(Cn3nc(Nc4cccc(C)c4)sc3=S)CC2)cc1 69005036 VMNJKPIICDKMKI-UHFFFAOYSA-N 427.599 4.514 10 10 IJCE CN(C)c1ccc(Cn2nccc2NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 98080453 YPBQZQAHRUQGLF-UHFFFAOYSA-N 445.548 4.564 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cncc(COC)c2)sc(C)c1-c1ccc(F)cc1 764975842 AOUGZVRBRCABNG-UHFFFAOYSA-N 428.485 4.833 10 10 IJCE Cc1sc2ncn(CCc3nnc(-c4cc(C)n(-c5ccccc5)c4C)o3)c(=O)c2c1C 1326097120 WVXZZLYOBQAMKC-UHFFFAOYSA-N 445.548 4.775 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1OC(F)F 1630550322 NKUDNMSYXGYNCD-ANYHLBQASA-N 448.485 4.760 10 10 IJCE Brc1cc(CNCc2ccn(Cc3ccccc3)n2)ccc1N1CCCCC1 1656232587 VYVUUXIECRZLDB-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(N)c1I 2080043403 ULJCAGRKSXOQDL-CYBMUJFWSA-N 427.330 4.689 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2088292119 OKGMGAPEBMFMAB-SNRMKQJTSA-N 435.793 4.951 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)c1cc(Br)ccc1O 2090373861 FWBFDAAYWGQZNO-HRCADAONSA-N 431.346 4.543 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 2323879576 GVURALRZJXEYRD-UHFFFAOYSA-N 448.617 4.509 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c(O)c1Br 2352687768 QVUFRXJTHLZBLY-IIAWOOMASA-N 427.383 4.587 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2352695001 XWERVUAMPYUVFN-OAHLLOKOSA-N 427.383 4.588 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638942 ZGKBBQZWMCLTPL-UEXGIBASSA-N 447.398 4.964 10 10 IJCE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15046908 VNMIGMDSGHWVRX-RMENWYJGSA-N 440.590 4.918 10 10 IJCE COc1ccc(OC)c(C(=O)c2c(C)oc3cc(Br)c(O)c(CN(C)C)c23)c1 33286252 JHWQUOPMRBQPQX-UHFFFAOYSA-N 448.313 4.519 10 10 IJCE Cc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)cc2c1 38170793 OYYDNXCESURZKE-VCHYOVAHSA-N 426.950 4.891 10 10 IJCE COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O 210712597 PFUYMPFIROIALQ-XMHGGMMESA-N 426.563 4.624 10 10 IJCE COc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC(F)F 742499539 SEGIFARXBJDXSI-UHFFFAOYSA-N 444.478 4.685 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 745925065 CBYXFXZPSWXHMV-HNNXBMFYSA-N 443.345 4.633 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 1084032933 MMTLNFDVFBSNSH-OQLLNIDSSA-N 441.452 4.834 10 10 IJCE Cc1cc(C(=O)Nc2ccc3nc(O)n(C)c3c2)c(C)n1-c1cccc(Br)c1 1467383817 ZQVXFZUXKKLZQM-UHFFFAOYSA-N 439.313 4.701 10 10 IJCE C/C(=C\c1cccnc1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1538918068 CPUYGLCSPREKJL-SDNWHVSQSA-N 434.297 4.596 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4Cl)cc3)CC2)cc1 1872871683 MIYSCMGIHRUXHZ-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875689799 MDSUHJBIMNTFCO-XMMPIXPASA-N 446.507 4.959 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)cc1 1891724240 JISBJODUSBSDAG-UHFFFAOYSA-N 435.574 4.996 10 10 IJCE COCCOCCN(Cc1ccccc1)c1ccc(CNC(C)C)cc1Br 2152214937 MCNSHYLPKCFCKM-UHFFFAOYSA-N 435.406 4.617 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163319432 VFVDHVXLFKBGBQ-JPYJTQIMSA-N 428.418 4.961 10 10 IJCE OCc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2164880840 XVHSAQPFABILMG-UHFFFAOYSA-N 439.344 4.679 10 10 IJCE CCCOc1c(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)cc1OC 2297366274 WKSMVCCYEODPEA-UHFFFAOYSA-N 428.872 4.642 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1Br 2297559900 SVGHABMTNCREGU-UHFFFAOYSA-N 434.380 4.902 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1)C(=O)O 2314930104 XQBPJJURWSWISD-SFHVURJKSA-N 441.530 4.537 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352680847 SAUUAZVDYWDGDV-OAHLLOKOSA-N 427.383 4.590 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2354576196 LVOMVXSLVBBBEI-DFEHZGFQSA-N 439.394 4.841 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)ccc1O 38170619 SIWFKVPIXBRIKM-WDZFZDKYSA-N 440.761 4.580 10 10 IJCE O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1cccc(Cl)c1 103374932 SPPZOHACBFAUOZ-YRNVUSSQSA-N 447.706 4.943 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 210672986 PAIQTMAHISTTCX-OVCLIPMQSA-N 440.443 4.684 10 10 IJCE C[C@@H](Nc1ccc(I)c(Br)c1)c1cc(O)ccc1O 381794566 HZXAUMDLLOYQSI-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526445601 IBXRLHZNTRSXMF-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Br)cc(C(F)(F)F)c1 755610122 UROXRPYLDQANRF-UHFFFAOYSA-N 429.236 4.557 10 10 IJCE CC(=O)N(c1ccccc1)c1nc(CNCc2cccc(Br)c2O)cs1 1205666757 CQCHCXKJAZMWOW-UHFFFAOYSA-N 432.343 4.586 10 10 IJCE c1ccc(Cc2nnc(N3CCCCCCC3)n2CCCSc2nccs2)nc1 1740735811 FQJDXYLIPWLRBX-UHFFFAOYSA-N 428.631 4.673 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(-c3cccnc3)nc2c1 1859707530 SDYPRXPAUUJCCU-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679347 IVGZSBQSDUVGBA-LICLKQGHSA-N 441.871 4.601 10 10 IJCE COc1ccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1951651551 JQHQERPKVDJWPG-HSZRJFAPSA-N 447.487 4.845 10 10 IJCE COCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2296729431 JSWAZJRAUQFPLN-UHFFFAOYSA-N 438.368 4.947 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1 2296755559 LNXXVTNCAMQJGQ-UHFFFAOYSA-N 436.602 4.956 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1 2314740797 NJVBCLPKJQSHKI-UHFFFAOYSA-N 433.595 4.943 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2314767908 ISZWZYMDFJCVSV-FQEVSTJZSA-N 440.590 4.648 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1 2321683244 LSNISKXQAZCBQJ-UHFFFAOYSA-N 433.352 4.813 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OCC 2323756691 ULHFPGGJTOXILC-UHFFFAOYSA-N 443.546 4.614 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2332115058 OUPILUQPPLXZDT-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1 2332134832 PMRUGGZXUDLDJA-UHFFFAOYSA-N 430.891 4.957 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1 2332134881 VGIIESQPBWQSAY-UHFFFAOYSA-N 430.891 4.957 10 10 IJCE Cc1ccc(Nc2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1Cl 16325616 MDPMSHNULGAUCV-UHFFFAOYSA-N 448.017 4.718 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 59371530 NUHBBOSAILYITG-LICLKQGHSA-N 448.411 4.786 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1ccccc1 210734999 NVIBJNAYMVSXQO-XDJHFCHBSA-N 426.563 4.793 10 10 IJCE C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Br)CCN1Cc1ccccc1 382605246 RGCBJBILMTXGRY-SYJIQKIWSA-N 429.358 4.648 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)CC2)cc1 800568181 AWBNMSLQLZMVNX-UHFFFAOYSA-N 443.853 4.644 10 10 IJCE CC(C)(C)C1CCC(OC(=O)Cn2nc(Cc3ccc(N)cc3)c3ccccc3c2=O)CC1 821186558 FZUQGTKEBMAFEF-UHFFFAOYSA-N 447.579 4.718 10 10 IJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OC)C1 1705731516 ZUTTUJGISJXPFW-HSZRJFAPSA-N 449.599 4.561 10 10 IJCE CCCN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947484395 KGAOSHLSQSBJON-UNMCSNQZSA-N 428.573 4.933 10 10 IJCE C[C@@H](O)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2163345706 XQDSPLIBOXRARF-GOSISDBHSA-N 429.402 4.995 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1)c1cc(Br)ccc1O 2196384480 XGWZOJARCBYVJO-YQVWRLOYSA-N 439.394 4.983 10 10 IJCE O=C1C(=CC=Cc2ccccc2)SC(=S)N1CCC(=O)N1CCCc2ccccc21 2297554560 GWCWFLQRQMJXAI-UHFFFAOYSA-N 434.586 4.814 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 2313610170 TVGGTXWLYVXASO-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314931471 FWBMBQLVDUFPEE-LLVKDONJSA-N 449.937 4.606 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccc(Sc3cccc4ccccc34)o2)SC1=S 20239024 OKIVLWUDWSKPSJ-YBEGLDIGSA-N 427.528 4.870 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 709439191 SNJUKWSERWKQCU-DNMXQMFDSA-N 439.394 4.983 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)c1 745780393 SQALPCPHFYUPTA-FQEVSTJZSA-N 445.563 4.759 10 10 IJCE CCN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 1084170469 KLODLSWQFABAOT-SXGWCWSVSA-N 431.451 4.516 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2cccnc2)cc1 1865672782 LGRZLTSHXUCURP-DEDYPNTBSA-N 434.293 4.687 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2037292422 JDWWBBHGMZHUGA-VXGBXAGGSA-N 433.774 4.543 10 10 IJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(N)c2I)C(C)(C)C)c(O)c1 2079026288 YZYLJIGYWHNUQU-MRXNPFEDSA-N 439.341 4.771 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079988086 ZRPGFGPQWXDAFC-KRWDZBQOSA-N 425.323 4.515 10 10 IJCE COc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2080025663 RSNXLKKCRZSCFL-KRWDZBQOSA-N 435.318 4.715 10 10 IJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)cc1 2293707247 LXFVMACKSLLPDY-UHFFFAOYSA-N 447.288 4.783 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nc2ccc(F)cc2s1 2314563173 OIHCTDHTZDGFQS-UHFFFAOYSA-N 443.550 4.665 10 10 IJCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(I)cc1 2321616796 BCCCLAHKBIUEFV-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)ccc1OC 2321644042 YBPUVQWVMBGPRM-UHFFFAOYSA-N 430.507 4.716 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2321698461 FPPAREZYDXLKJJ-UHFFFAOYSA-N 449.966 4.550 10 10 IJCE [N-]=[N+]=N[C@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349781172 MRCSSICAUXHWAY-NSHDSACASA-N 435.107 4.719 10 10 IJCE COc1ccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)cc1 8602208 CLKXPQQEGKQUDR-UHFFFAOYSA-N 431.561 4.727 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14462267 IPWSYKBOFQDXEL-ZEVJAHDQSA-N 431.580 4.832 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCc2nc3ccccc3s2)cc1 69437079 MDSFNGKYRMMVSL-NRFANRHFSA-N 437.609 4.893 10 10 IJCE CCc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)nc2s1 96204669 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4.652 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 2040443932 BCQSMKCOKJDWHP-UHFFFAOYSA-N 425.453 4.782 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)CC12CCC2 2099384234 WRGDPBFNTKDMFC-CQSZACIVSA-N 445.785 4.830 10 10 IJCE CC1(C)C[C@H](CNCc2cccc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115924743 MICGYHUKHXCFRB-CQSZACIVSA-N 427.383 4.528 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 2127899415 RRNDIEHWKACLBO-IUODEOHRSA-N 447.801 4.837 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CCCNCc2c(O)cccc2Br)cn1 2169165364 YPDSFEJJCMUXJR-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE CC(C)CC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 2293332650 ZEOYMJWQRMPNDF-UHFFFAOYSA-N 448.548 4.810 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 2293452810 OFVSKRJRAHBVLK-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE CC[C@H](C)N1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 2296706649 DPHIHZHGFLQFOF-AWEZNQCLSA-N 427.547 4.914 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1O 2321614884 PFXMYYMVZPLKRC-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE O=[N+]([O-])c1ccc(N2CCN(N=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1 2330149425 FCALAMATKVKVGR-UHFFFAOYSA-N 448.327 4.848 10 10 IJCE Cc1cccc(C)c1-n1cccc1/C=C1\C(=N)N2N=C(Cc3ccccc3)SC2=NC1=O 32964433 VJTPWDVPNXPLNP-SUYASHRRSA-N 439.544 4.956 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1ccc(F)cc1 210739631 ULJDLNBLAVXRMP-XMHGGMMESA-N 444.553 4.932 10 10 IJCE CN(C)c1ccc(CNc2ccc(I)c(Br)c2)cc1 311695208 GLDGFVQKOBUUJQ-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE COc1cccc(O)c1[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687755185 OVSCCIAARBIDHT-AREMUKBSSA-N 447.487 4.629 10 10 IJCE Cc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(C)n1-c1ccccn1 733781197 GLRMHKJAEFYVSY-UHFFFAOYSA-N 425.414 4.946 10 10 IJCE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NCc1ccc(N3CCCC3)cc1)C2 795204284 NRQQBULCHGFJOS-VMDDHHINSA-N 441.616 4.623 10 10 IJCE COCCOc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917632408 BZNCHADFOLNJIR-QHCPKHFHSA-N 444.491 4.871 10 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COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2297311021 PGIIGORLNWCDRY-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(OC)c3)cc2)SC1=S 2297347768 HNZGFLIDEYBBPN-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 2314764598 HJSUQLXCESZFAF-UHFFFAOYSA-N 434.542 4.703 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccco4)S3)[C@@H](c3ccccc3O)C2)cc1 2314952068 RNXFMHYAYRSJJF-HXUWFJFHSA-N 445.500 4.815 10 10 IJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1705509060 BCLFJSNQRZDOIQ-SFTDATJTSA-N 431.584 4.770 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc1OC 1858589831 LTCWMOJKKGLPES-CPNJWEJPSA-N 431.604 4.870 10 10 IJCE COc1cc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)cc(OC)c1OC 1858591260 HGNIUTIOYJBKMR-LICLKQGHSA-N 435.954 4.767 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cccc(C)c4C)cc3)CC2)cc1 1872870162 MZOHZIPKSQURAE-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873424546 RJVAIZOFWQUYRU-UHFFFAOYSA-N 443.547 4.951 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(C=CC(=O)O)cc2Br)CC1 1912078650 NGRDOAQKUCTLBP-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951656519 CPHJKHABWGEKAR-OAQYLSRUSA-N 433.460 4.542 10 10 IJCE Oc1c(Cn2nc(C3CCCC3)cc2I)cccc1C(F)(F)F 2070047414 RBNQGVLTNFCMLP-UHFFFAOYSA-N 436.215 4.918 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Br)ccc3O)CCC[C@H]12 2098313779 SMHQCKNXFOVVLE-PXNSSMCTSA-N 425.367 4.567 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255623 PVMOSVNNPYFAEG-UCNVEGJOSA-N 429.402 4.993 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](CNCc2cccc(Br)c2O)(C(C)(C)C)C1 2160958340 QOUYWIPKJCKJGJ-NRFANRHFSA-N 441.410 4.918 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2161555449 LVOMVXSLVBBBEI-IDCJVQTKSA-N 439.394 4.841 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C1CC1 2297560236 DHARVJGOKODZRZ-UHFFFAOYSA-N 434.348 4.578 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 2313681689 KYCRLNAOPTXVNL-UHFFFAOYSA-N 426.904 4.857 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2329451090 ZDKVHFUZXIKPMC-RBOXIYTFSA-N 445.785 4.543 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 2332115227 ZMQZMMJNKROOTB-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S 2673016 QNULAPHWXKJEPY-RGEXLXHISA-N 427.547 4.916 10 10 IJCE Nc1ccc(-n2nnc(S(=O)(=O)c3cc(Cl)ccc3Cl)c2-c2ccccc2)cc1 11730797 UCITZRNAPAVSDG-UHFFFAOYSA-N 445.331 4.656 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152222 SENXBMANENIXNV-AQTBWJFISA-N 441.534 4.523 10 10 IJCE C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1584962367 RRHCCAXULBPXMR-PEZBUJJGSA-N 440.455 4.546 10 10 IJCE CCc1nc(-c2ccc(OC)cc2)cc(=Nc2cccc3c2C(=O)c2ccccc2C3=O)[nH]1 1859832682 GPRCRPLBTXSCTD-UHFFFAOYSA-N 435.483 4.656 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 1860076630 QYSXOPBZTZJWDK-CPNJWEJPSA-N 443.546 4.764 10 10 IJCE C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865783194 ZPRCZBCRYLYBIT-INIZCTEOSA-N 425.484 4.747 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OCC 2297578135 GVEXKTVEFKRIMY-UHFFFAOYSA-N 448.397 4.531 10 10 IJCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 16907838 AYRKJAUPTUBFRL-CXUHLZMHSA-N 437.901 4.738 10 10 IJCE Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Br)c1 103801736 ZALCBELCCWHHKB-BGQXKEBWSA-N 427.327 4.634 10 10 IJCE O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(Br)c1 742799169 HXUKXHWHLBNSDG-LBPRGKRZSA-N 431.302 4.511 10 10 IJCE CCN(C(=O)/C=C\c1ccc(C)nc1)c1cccc(NC(=O)/C=C/c2ccc(C)nc2)c1 754150135 YCFXFMLGKPTRSS-GQJHWZHGSA-N 426.520 4.812 10 10 IJCE C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920880496 BPDPXSJCANGVEL-NRFANRHFSA-N 430.548 4.507 10 10 IJCE CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1OC(C)C 1442619942 VDELOZMVNHEUCR-HSZRJFAPSA-N 438.568 4.564 10 10 IJCE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(N(C)C)cc1C 1705545306 VTHFQIYIBORJCV-UHFFFAOYSA-N 433.625 4.768 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2)sc(C)c1-c1ccc(C)cc1 1860748875 LSRCWMQLLVEKCJ-UHFFFAOYSA-N 426.469 4.535 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C 1865678625 VNJXUVKFHMCTPJ-OVCLIPMQSA-N 435.307 4.821 10 10 IJCE CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)cc2C1=O 1865884541 KLYWKOUURWMMOT-UHFFFAOYSA-N 429.476 4.708 10 10 IJCE CC(C)C[C@@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865898688 ZQNVLJHQOFJXSW-DEOSSOPVSA-N 441.531 4.509 10 10 IJCE O=C(O)C[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951968200 NCQKWGUTSYGOLH-MRXNPFEDSA-N 447.487 4.585 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](C2(NCc3cc(Br)cc(F)c3O)CC2)C1 1967777250 WBKVNTBOAIAQBW-AWEZNQCLSA-N 443.357 4.563 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1 2040469340 MZIQXISSOSEOMZ-UHFFFAOYSA-N 435.482 4.642 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163265584 ZFHNCTGBSOTBNZ-JPYJTQIMSA-N 429.402 4.995 10 10 IJCE Cc1cc(Br)c(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cc1NC(=O)OC(C)(C)C 2180957931 SVEYEEVCTTZEEK-LBPRGKRZSA-N 438.326 4.877 10 10 IJCE CC[C@H](N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226272266 GSPYTEZBRJYEDL-YCPHGPKFSA-N 431.346 4.543 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 2323790759 HIOGMROZYZGQMY-VQIMIIECSA-N 446.638 4.714 10 10 IJCE COc1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F 2332143178 HBMBYVCBHFONQD-UHFFFAOYSA-N 425.204 4.806 10 10 IJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15045621 NFWOJBPJWVLYEO-HJPCULJESA-N 432.954 4.582 10 10 IJCE O=C(CCNC(=O)c1cccs1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 248069067 XIJOYLJLVXVEFX-DEOSSOPVSA-N 430.529 4.633 10 10 IJCE CC(C)(C)OC(=O)NCC1(NCc2cc(Br)cc(F)c2O)CCCCC1 715723213 WZPAFVQLCNSAKW-UHFFFAOYSA-N 431.346 4.611 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1O 1167739541 DAGNBHGZCVGCNE-UHFFFAOYSA-N 436.339 4.641 10 10 IJCE CC(=O)c1ccc(NC(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1 1653582495 REGQBTVKNKTQFO-YVMONPNESA-N 442.515 4.819 10 10 IJCE COC(=O)c1c(NC(=O)CCCCCO)sc(C)c1-c1ccc(Br)cc1 1866012297 FXRWDNLDPGVMHF-UHFFFAOYSA-N 440.359 4.764 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccccc4Cl)c3)CC2)cc1 1872847891 CJTLGYOYEGMPHB-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE CC[C@]1(NCc2cc(Cl)cc(OC)c2O)CCCN(C(=O)OCc2ccccc2)C1 2144434727 ZVRLTGRAPXJALU-QHCPKHFHSA-N 432.948 4.725 10 10 IJCE COCCOCCN(Cc1ccccc1)c1ccc(CNC(C)C)c(Br)c1 2152223740 PBEGIOANGJWONE-UHFFFAOYSA-N 435.406 4.617 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNCc2cc(Br)ccc2O)CC1 2178640799 SKDNYGHLVLTVFP-LDTOLXSISA-N 445.373 4.668 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@H]2CCCC[C@@H]21 2179398478 PGHBNKYJSZLQTF-JQHSSLGASA-N 439.394 4.670 10 10 IJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12 2294199287 NLQHQJNJOCLDRT-UHFFFAOYSA-N 426.472 4.963 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2294581447 ZHWPPSDIWQHWOX-UHFFFAOYSA-N 431.231 4.508 10 10 IJCE CC(=O)c1ccc(NC(=O)CN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1 2296807945 BPODIEMZYKITCO-UHFFFAOYSA-N 436.558 4.675 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O 2297365859 LFMVKIQAIACRBO-UHFFFAOYSA-N 440.315 4.708 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 2313541180 ZMMSIIOIYJZVSZ-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc(Cl)cc1 15039487 HHSXQKGLLXSCSB-ATVHPVEESA-N 432.954 4.666 10 10 IJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)o1 58833025 FFYGAIYGIJXPHY-BKUYFWCQSA-N 445.431 4.922 10 10 IJCE CCOc1ccc(C2=NC3(CCN(CC)CC3)N[C@@H](c3cccc(OCC)c3O)C2)cc1 65298390 KUQMXYRAPWOZGB-HSZRJFAPSA-N 437.584 4.525 10 10 IJCE biogenic C/C(NC1CC(C)(C)NC(C)(C)C1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205952085 NPFJROMBHLJFQT-OQKWZONESA-N 434.559 4.749 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCCc2ccc(F)cc2)cc1 205960204 DLXQXVOEQCAKKY-HKOYGPOVSA-N 429.495 4.692 10 10 IJCE Cc1cc2c(n1-c1ccc(I)cc1Br)CCC[C@H]2O 388598382 CGWKUFQNQFRTJK-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526399469 ZOJVIMJIHVNGSS-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917470 QPBGGAOVKIVVSP-OAHLLOKOSA-N 428.444 4.816 10 10 IJCE CCCC(=O)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 1860646793 RHJZBSJDXZXUOF-SFHVURJKSA-N 442.581 4.877 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(N)c2I)cc1C 2079976616 ADNPLGBKXPLJSM-KRWDZBQOSA-N 425.314 4.515 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CNCc1cc(Cl)cc(Br)c1O)C1CCC1 2082416081 RRARYQRIMOBECL-HNNXBMFYSA-N 433.774 4.591 10 10 IJCE CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2294229403 QRESYYFCMQIYIF-UHFFFAOYSA-N 444.343 4.799 10 10 IJCE COc1ccc(-c2csc(N3N=C(C)[C@H](N=Nc4cccc([N+](=O)[O-])c4)C3=O)n2)cc1 2297732852 HNFGAEBZWBVAMN-SFHVURJKSA-N 436.453 4.602 10 10 IJCE COc1ccc(CNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 2297735238 DHAUOBZQNLFKRC-UHFFFAOYSA-N 446.454 4.634 10 10 IJCE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837663 VNMIGMDSGHWVRX-CQSZACIVSA-N 440.590 4.918 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccc(O)cc1 2321569849 HNJBTFGBDGCWMJ-UHFFFAOYSA-N 442.743 4.920 10 10 IJCE O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 3639902 DWYCOQIBWGDNTB-ZROIWOOFSA-N 427.425 4.641 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)Nc1cccnc1 33330320 IIVJJTSEDXDUDH-OVCLIPMQSA-N 438.361 4.618 10 10 IJCE CCCN(Cc1ccc(N)cc1)C(=O)c1cc(Br)c(Br)s1 128339679 OZVVBJATAKHPQW-UHFFFAOYSA-N 432.181 4.908 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526222961 CBFFLDONTOXLKU-XMMPIXPASA-N 447.487 4.789 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526468951 KNFSKVMSWJPZBT-HSZRJFAPSA-N 446.478 4.736 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2c(O)cccc2Br)Cc2ccccc21 706872030 DCBGWUKIBRUCFJ-HNNXBMFYSA-N 433.346 4.611 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(O)c(C(F)(F)F)c3)cc2Cl)C1 1139138361 IXFIOBZSLRTTPA-GFCCVEGCSA-N 427.854 4.626 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1O 1641721635 FCJINHWQCKNABA-UHFFFAOYSA-N 433.483 4.936 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873166982 NHOOLFUNKNSFPQ-UHFFFAOYSA-N 445.538 4.554 10 10 IJCE CCCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC(F)F)c(Br)cc21 2152220742 VEEIWRSLSWPPTF-IBGZPJMESA-N 438.316 4.714 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2296881947 FCZRPILUJKPSST-KRWDZBQOSA-N 447.965 4.983 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 2297307941 CWVWTVDMWSJLBY-UHFFFAOYSA-N 448.906 4.697 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OC 2323789959 OGULCYLKLLWUAS-UHFFFAOYSA-N 448.654 4.994 10 10 IJCE Cc1ccc(CN[C@H](CN(C)C(=O)OC(C)(C)C)C(C)(C)C)c(O)c1Br 2352947191 HBRKQEAGAYHSEL-OAHLLOKOSA-N 429.399 4.834 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C(C)(C)C1 721934895 YSZQYINCPAUGLZ-CQSZACIVSA-N 433.774 4.543 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 1084404261 AEMNNKXFXNUHKY-ZHZULCJRSA-N 432.501 4.968 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)c1O 1620655376 HKXPVLPMNFCGHK-UHFFFAOYSA-N 442.531 4.754 10 10 IJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)c(O)c1 2079024495 FLCUPYANZGCWSE-MRXNPFEDSA-N 437.325 4.525 10 10 IJCE Cc1c(C2CCC2)nn(Cc2ccc(Br)cc2O)c1I 2079790186 DBABFQDISGEIHK-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CC[C@@H](NCC1(F)CC(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172277415 FSHHARRXCLGRIV-WGAFOPHPSA-N 445.373 4.838 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@@H]2CCCC[C@H]21 2240995809 JMBKBWCWMRPTLT-QILLFSRXSA-N 439.394 4.813 10 10 IJCE C=CCN1C(=O)/C(=C\c2cccc(OCCOc3ccc(OC)cc3)c2)SC1=S 2978304 YXVQYIMVWCJUPQ-HMMYKYKNSA-N 427.547 4.540 10 10 IJCE COc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 33417790 MCJPXZLGGSVTKO-LDADJPATSA-N 435.954 4.637 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 206455494 OKKCLSBPEMRIEF-CPNJWEJPSA-N 449.594 4.561 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705959392 YEUWLPBNDKYNSC-DZFGPLHGSA-N 428.418 4.688 10 10 IJCE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 715714131 VRNRTZMDQBZSPR-RNODOKPDSA-N 445.373 4.857 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1597090394 XUMLTAJAMJZBHE-YFIXDKARSA-N 435.442 4.902 10 10 IJCE C/C(=C/c1ccccc1)CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1658236813 RXYFBTLWHJKLCV-NZCCEVMUSA-N 438.527 4.824 10 10 IJCE CCN(CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1866173794 QWOVRRLUWZIZCO-AREMUKBSSA-N 436.644 4.703 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873164450 CDDCQDHVQRTOHL-FQEVSTJZSA-N 427.548 4.935 10 10 IJCE CCNCc1ccc(N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1Br 1921464900 VJHWBRKOIWUHSL-RTBURBONSA-N 430.434 4.905 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2cc(Br)ccc2O)C1 2100260026 SSIZYZPOHQFHFL-WMLDXEAASA-N 427.383 4.718 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC(NCc3cc(Cl)cc(Br)c3O)C[C@@H]2C1 2102638553 UUYIOVRCIIRTNY-CHWSQXEVSA-N 445.785 4.543 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190561956 TWMHCXXOQOYTOJ-DZKDUJFISA-N 433.365 4.867 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1O 2236055295 PISAUGYLVJOURY-QGZVFWFLSA-N 433.390 4.696 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@@H]2CCCC[C@@H]21 2240989454 JMBKBWCWMRPTLT-ZVZYQTTQSA-N 439.394 4.813 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2296881986 FRPRTZXJDIYADD-MRXNPFEDSA-N 447.965 4.983 10 10 IJCE CC(Nc1cc(C)ccc1O)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2297733000 ZQXDEBXLZWPXDN-UHFFFAOYSA-N 432.427 4.961 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=Cc1ccc(O)cc1 2314951754 JOANWMXDGOEMMJ-NRFANRHFSA-N 441.512 4.919 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1 2321690868 FLVRUAIBAPNIHI-UHFFFAOYSA-N 442.606 4.951 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130796 VWCNGPASTPKVLH-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE Oc1c(Br)cccc1CNc1cc(F)c(F)cc1I 2351704854 QYGGTEFLEUHTBL-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N(C)C)cc2[C@@H]2C=CC[C@@H]21 14544164 RVPXIPQAKBNDPF-OHUGHZGNSA-N 434.561 4.925 10 10 IJCE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3n2)CC1 20108606 JTPVKCHYAFRZLA-DHZHZOJOSA-N 434.971 4.990 10 10 IJCE CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC 34846777 DMZGKLFFOTZSQA-LICLKQGHSA-N 432.398 4.836 10 10 IJCE Cc1cc(C(=O)NCc2nccc(C(F)F)n2)c(C)n1-c1ccc(Br)cc1 807890663 FKVTXBSFZXDTKM-UHFFFAOYSA-N 435.272 4.514 10 10 IJCE CC(=O)c1cc(F)cc(CN(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c1O 1617668170 OGWRBFLLILTIQT-UHFFFAOYSA-N 430.520 4.651 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCn1ccnc1C 1705835362 IFVJQTULMGJXJZ-UHFFFAOYSA-N 443.599 4.960 10 10 IJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(CCc2c[nH]c3ccccc23)C1=O 1860074765 LGJCQNXZCGVVCG-GIJQJNRQSA-N 438.603 4.938 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc(OC)c1O 1865678196 YXDXFDDLQVUKAB-XKZIYDEJSA-N 442.515 4.856 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 1872957100 WKLXWWMJIICERJ-UHFFFAOYSA-N 442.393 4.835 10 10 IJCE COc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)cc1 1892071419 OSMMZNHEAKBQHC-RDPSFJRHSA-N 448.588 4.829 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1O 1952879936 BROPPRGONMVDOF-VWNXMTODSA-N 447.487 4.756 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNCc1cc(Cl)cc(Br)c1O 1965971461 XWMDHRMZZNVDLM-CQSZACIVSA-N 445.785 4.687 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N2O1 2297347662 RCXKXYVBKDQSRK-UHFFFAOYSA-N 437.883 4.557 10 10 IJCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1 2297576847 IYGXMVSZNFLQBA-UHFFFAOYSA-N 438.530 4.689 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(CNc3ccccc3Br)C2=O)cc1 2313502008 VUMUWIBAPRQRLN-UHFFFAOYSA-N 448.411 4.786 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 2318755934 CWOBFUADBIMXRP-UHFFFAOYSA-N 426.563 4.663 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2354387748 XDBWDADTDQTTJA-YSIASYRMSA-N 428.418 4.688 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 13636577 NXYKKFJFNRCUAZ-PLXFJCCSSA-N 446.572 4.740 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21 14469111 ZWZDGFFOLZEJFV-XLNZFTOWSA-N 434.536 4.977 10 10 IJCE O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1 33315564 IKMQGDVWJVCERJ-STZFKDTASA-N 430.435 4.907 10 10 IJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 33340435 JUIWNNOQETZZDW-IFKIMKJNSA-N 439.558 4.924 10 10 IJCE O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1)=NO[C@@H]2c1ccc([N+](=O)[O-])cc1 59475613 CDZFDNMXZXCSEY-JOCHJYFZSA-N 432.819 4.789 10 10 IJCE CNCc1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 705673185 WRAYMYHROPONEE-GOTSBHOMSA-N 428.418 4.517 10 10 IJCE C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 1177315254 QLJDDUKHLBDZAN-LFIBNONCSA-N 435.446 4.643 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2cc(Br)cc(F)c2O)CC1 1308424743 VBPOHDTVZMGJBG-HDJSIYSDSA-N 445.373 4.715 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 1625090455 SBMVIMGTHBQLKG-UHFFFAOYSA-N 447.510 4.539 10 10 IJCE COc1ccc(N2N=C(C)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 1865675883 FLLIQMOLIGYEPI-PXLXIMEGSA-N 442.471 4.729 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccn21 1873942848 SUZAINVXCHOKMD-UHFFFAOYSA-N 434.373 4.986 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1O 1951665146 FHRVPURKZVNUJF-JOCHJYFZSA-N 435.451 4.976 10 10 IJCE Cc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331595026 CXJAYGUVECDBQP-UHFFFAOYSA-N 440.590 4.870 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2332134833 PQRHBZNMPXPJTQ-UHFFFAOYSA-N 427.298 4.822 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 2332139176 DQHAHNXGYRYRJH-UHFFFAOYSA-N 440.499 4.620 10 10 IJCE CC[C@@H](NC[C@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(Br)ccc1O 2358100336 JEXGPYLAFGJSCY-LEUOFYLZSA-N 439.394 4.698 10 10 IJCE COc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)SC1=S 1136124 GXSGRVYGNGGPMQ-GZTJUZNOSA-N 449.395 4.930 10 10 IJCE COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 20070878 GTQLLNKHOIZCCS-RXFWQSSRSA-N 446.503 4.969 10 10 IJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 20236331 JLAMBBFYPZNNKJ-WNDUKTEYSA-N 437.883 4.686 10 10 IJCE Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccccc4C(N)=O)=NC3=O)cc2)cc1 39869833 XYHTXSMWKWWICL-HMAPJEAMSA-N 443.528 4.755 10 10 IJCE O=C(CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 210715734 BVLLODSPMCQMKM-XDHOZWIPSA-N 439.537 4.927 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 526394567 PRFYBMPTZIAFTH-JOCHJYFZSA-N 433.533 4.830 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 687240301 XIGCVYWFAAISJH-OYRHEFFESA-N 428.418 4.800 10 10 IJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cc3ccccc3nc2O)cc1 1251656366 WTKUCENKMRUMSJ-UHFFFAOYSA-N 430.508 4.511 10 10 IJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1705509059 BCLFJSNQRZDOIQ-OYRHEFFESA-N 431.584 4.770 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c2nccn2C)cc1 1865952722 BXMICSIWQDDXQZ-FTJBHMTQSA-N 438.575 4.718 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NCc1cc(Br)ccc1O 1924818064 NHOOHWVQZBAKGH-KBXCAEBGSA-N 439.394 4.718 10 10 IJCE C[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172877083 KIVUUTFZFMXUFZ-BDJLRTHQSA-N 443.313 4.631 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(F)cc2)cc1 2313683686 RLBWQYJNMWVQPH-UHFFFAOYSA-N 431.467 4.980 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 2314827578 HWYBPVAQDGIHBQ-UHFFFAOYSA-N 440.590 4.920 10 10 IJCE COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1153962 LGMJVRBRPUZKOS-GDNBJRDFSA-N 434.336 4.642 10 10 IJCE O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCSCC2)cc1 108195342 AAHYOOXEWXUWBJ-UHFFFAOYSA-N 432.589 4.662 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1Br 399680891 ASEVEOVVNZVXPQ-IRLDBZIGSA-N 428.418 4.802 10 10 IJCE C[C@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705965212 DHYFNECWCYTZEU-PDIWNELESA-N 428.418 4.817 10 10 IJCE C[S@](=O)Cc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 734506140 FBUMMKSAWDQAIA-ICACTRECSA-N 446.532 4.725 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1O 1473836858 IYIMKXZLUJAURU-FQEVSTJZSA-N 434.552 4.783 10 10 IJCE COc1ccc(N(C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(OC)c1 1657869554 QBGWKNAAKLPINU-UHFFFAOYSA-N 431.945 4.864 10 10 IJCE COc1cccc(/C=C/C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)c1 1859891621 IBAHTSDYDSPJAB-SDNWHVSQSA-N 425.484 4.925 10 10 IJCE Cc1ccc(Cl)cc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860715105 AJTLFEZMAXNFBD-UHFFFAOYSA-N 432.145 4.888 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873168557 ZNVNFKWVKDPLKG-KRWDZBQOSA-N 445.538 4.901 10 10 IJCE COCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419780 ABNLOOSEGUHROK-UHFFFAOYSA-N 449.938 4.586 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Br)c2O)[C@@H]1C(C)(C)C 1877308250 WXGBOOGGQQXPTP-NVXWUHKLSA-N 427.383 4.668 10 10 IJCE COc1cc2[nH]c(C(Cl)=Cc3ccc(N4CCCCC4)cc3)nc(=O)c2cc1OC 2040454279 NNXXDJXWTTXYIV-UHFFFAOYSA-N 425.916 4.668 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2078983614 ZTSKRTBKOYWCJT-QGZVFWFLSA-N 426.298 4.683 10 10 IJCE CC(C)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1I 2079051277 BOYMPWMAPZQSOY-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE COc1ccc([C@H](n2nc(C(C)C)c(N)c2I)C(C)(C)C)c(O)c1 2080006148 JGNRBWMOGYRNSN-INIZCTEOSA-N 443.329 4.543 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC(NCc3c(O)cccc3Br)CC2)C1 2156007256 XIDYVEJUSHWARH-UHFFFAOYSA-N 439.394 4.814 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)S1 2294602843 ODCVTCOXYSRJHZ-UHFFFAOYSA-N 427.888 4.589 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2295905605 BKIHBMAGVCGRDX-CQSZACIVSA-N 434.521 4.864 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)c(OC)cc1Cl 2321629425 KRNWDWROMCGQAG-UHFFFAOYSA-N 442.927 4.733 10 10 IJCE Oc1ccc(Br)cc1CNc1cc(F)c(I)c(F)c1 2341221421 YCFZQFYAMPUUFM-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639565 RSUIRCPPZHVEQY-AXHZCLLHSA-N 434.517 4.725 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCCC(=O)O 16920031 GDNTYGGMLHHFDR-DEDYPNTBSA-N 440.521 4.638 10 10 IJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cc(C)on2)C1=O 33330792 QIOSKJMSVOPQMK-DMAJYYCCSA-N 427.551 4.549 10 10 IJCE COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cccc(C)c2)C1=O 34145184 PWYODILEEUMVML-QNGOZBTKSA-N 428.488 4.855 10 10 IJCE CN(C)c1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 209361658 RJEGHIKYHPYAOW-UYRXBGFRSA-N 433.474 4.913 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226743148 SRABIDSZDSDXQI-XFQAVAEZSA-N 447.944 4.761 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 773852170 XPHSDMMDYYSSIN-LJQANCHMSA-N 430.434 4.935 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2cccc(Br)c2O)C1 2093954222 RQCVDADVSGPJEB-OAHLLOKOSA-N 427.383 4.528 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2321643996 NFOBZVWDVANBMY-UHFFFAOYSA-N 435.870 4.871 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)ccc1O 2321683398 XGDAUJQBEWZCES-UHFFFAOYSA-N 449.937 4.637 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC 2321697741 YPFCTEBSRBDENJ-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE Cc1ccc(CNC2CCC(NC(=O)OCc3ccccc3)CC2)c(O)c1Br 2327789826 OYVYHULGPZJYLP-UHFFFAOYSA-N 447.373 4.790 10 10 IJCE Cc1cccc2cc(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCOCC3)nc12 40562473 PWVJJRHIUIMDAW-RGEXLXHISA-N 441.622 4.627 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 399748571 CUVLXXLAERMEKC-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526144059 RYCKGIODEFOUOT-XMMPIXPASA-N 430.504 4.827 10 10 IJCE C/C(=C\C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 1129661572 PAHVKYDQHYUGEE-NTEUORMPSA-N 440.412 4.540 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)cc2)CC1 1638586907 DVGHRJMKMRYGGO-FTJBHMTQSA-N 447.623 4.581 10 10 IJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(C)C)CC1 1705525725 SMFHAWZHKSZOPT-UHFFFAOYSA-N 444.627 4.544 10 10 IJCE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705718017 XRZOXNSKKFOLLB-HSZRJFAPSA-N 437.632 4.859 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 1858594420 YRTKZOSJEHKCEQ-YFQSIASUSA-N 439.562 4.633 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865679040 RFRHTPXGNIONES-HZHRSRAPSA-N 444.487 4.556 10 10 IJCE CCOc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872883988 GJHXETSRVCWKTB-UHFFFAOYSA-N 445.563 4.668 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CC(=O)O)c(Br)c1 1911992622 WAYYARMXINWLDE-GOSISDBHSA-N 429.358 4.505 10 10 IJCE CCN1CCc2cc([C@H](N)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044755049 SQXFWJXYNMZXSI-XZOQPEGZSA-N 439.600 4.569 10 10 IJCE CCC[C@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2101405924 RABAZHNJSOCPGH-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CCCN[C@H](C)c1ccc(N(CC(=O)N(C)C)Cc2ccccc2)cc1Br 2152241704 WRUBDHBZHVRQJP-QGZVFWFLSA-N 432.406 4.605 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280255473 SPGNRANZRJKHEU-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1F 2293462061 ITVRPNZKSCUDIG-UHFFFAOYSA-N 448.903 4.563 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2314650414 FPBPOJHSQCBZBP-VIFPVBQESA-N 427.425 4.640 10 10 IJCE COc1ccc(NC(=O)CCN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1 2314827812 MUZCPYSPPLOCRS-UHFFFAOYSA-N 438.574 4.872 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 15044318 CREHEPVVYQZUON-RGEXLXHISA-N 444.553 4.932 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683843 GUNDFKAFJXMUNN-IECBHUPTSA-N 434.536 4.775 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@H]32)cc1 20697126 GEENEKORTDYGQL-RQTOMXEWSA-N 431.580 4.832 10 10 IJCE CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)[C@H](O)CCCCCN4C)cc2)CC1 257181679 FVSGYLWLWGFRJR-AREMUKBSSA-N 435.612 4.897 10 10 IJCE CCc1noc(COc2ccc(OC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)cc2)n1 741624042 CWXLJTGDIXILCD-UHFFFAOYSA-N 449.507 4.648 10 10 IJCE C[C@H](NC(=O)c1c(Br)cccc1Br)c1ccc(N(C)C)cc1 798501468 JQZJNAQALFIRDO-NSHDSACASA-N 426.152 4.769 10 10 IJCE Brc1cc(CNCc2cnn(Cc3ccccc3)c2)ccc1N1CCCCC1 1199198255 NYYAZXDGLKXXMC-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)c(C)c1 1858688417 YCOBOQUAHHIJRD-KRWDZBQOSA-N 434.496 4.606 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(N)c2I)c(O)c1 2079013328 IRDDSEJJXPHWTQ-SFHVURJKSA-N 437.325 4.741 10 10 IJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1N 2079954228 JKUISGYPOKRJOZ-MRXNPFEDSA-N 427.330 4.590 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080047746 IZLMDGHXAMTPDL-OAHLLOKOSA-N 429.261 4.692 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@](CNCc2c(O)cccc2Br)(C(C)(C)C)C1 2160981269 WBMISEQDLCEUGC-OAQYLSRUSA-N 441.410 4.918 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)ccc1NCc1ccc(Br)cc1O 2268572085 HYSOUEWCYVVOJN-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2295934267 RMPBELBATFIZNT-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE CN(C)c1ccc(C=CCN2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)cc1 2297529210 BZYMQXMRNZWJHP-AREMUKBSSA-N 431.624 4.617 10 10 IJCE CCOC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314760869 MGMUFRMEUOHCJP-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccco2)SC1=S 2314837991 ZOCVHGDXOZMKAB-SNVBAGLBSA-N 426.441 4.527 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(N(C)C)cc2)cc1 2332096494 OAHCDVRLSZXHLJ-UHFFFAOYSA-N 425.532 4.900 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139631 BPTSTZMKWOGJRC-UHFFFAOYSA-N 449.551 4.529 10 10 IJCE O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1Cc1ccc(OC(F)(F)F)cc1 743284011 HONILXDVBOWSRO-CXUHLZMHSA-N 435.452 4.634 10 10 IJCE CC(=O)c1ccc(NC(=O)CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)cc1 1473237020 PPKLGDHWRUICJO-UHFFFAOYSA-N 436.533 4.676 10 10 IJCE CCCN1N=C(C(F)(F)F)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 1865671828 QGJATVJOEYCIFS-GHXNOFRVSA-N 449.267 4.799 10 10 IJCE CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865672134 MVIHWMBXVWISAS-LICLKQGHSA-N 447.304 4.884 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2NCc2cc(Br)ccc2O)CC1 2144612646 GGXMTTXZNMQWKY-GOSISDBHSA-N 439.394 4.814 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1C 2293601573 YAWJRKHQTNARFY-UHFFFAOYSA-N 435.549 4.579 10 10 IJCE O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 2297320136 LHNLKPLVQNWGME-UHFFFAOYSA-N 443.684 4.824 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932338 MKOVKWOBZPHTNJ-KGLIPLIRSA-N 443.546 4.510 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 2314932536 NPAMCAGGVUVOPQ-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE Cc1ccc(CNC(=O)c2cc(Br)c(Cl)s2)c(O)c1Br 2381138217 MSYJHNCRJDQONV-UHFFFAOYSA-N 439.556 4.871 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)o2)cc1 33926479 JXLRDSMPVCTREQ-ZHZULCJRSA-N 444.443 4.938 10 10 IJCE COCCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 54620284 SJBGTCASYOGYTA-XMMPIXPASA-N 443.503 4.649 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ccnn3C)cc2Cl)C1 800721650 PVPANFDKNTWLCE-VGSWGCGISA-N 429.996 4.747 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)CCCOc2ccccc2Cl)N2CCCCC2)cc1 1865934892 LIQJTWSDUGWCBF-HSZRJFAPSA-N 444.019 4.908 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Br 1915073390 FIULNEJFQIKLBJ-UHFFFAOYSA-N 429.358 4.985 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951592104 LOXNUOHAEMWOBY-JOCHJYFZSA-N 447.487 4.933 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3c(O)cccc3Br)CCCCC[C@H]12 1966047051 ACSDAUXAOLBEPM-RXVVDRJESA-N 439.394 4.957 10 10 IJCE CCN(CC)c1ccc([C@H](N)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764925 SKJZDNXFRQZJDO-RPWUZVMVSA-N 440.632 4.558 10 10 IJCE CC1(c2nn(Cc3cccc(F)c3O)c(I)c2C2CCC2)CC1 2079698514 QMBWXPQKWYCDJO-UHFFFAOYSA-N 426.273 4.700 10 10 IJCE COc1cc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1C=CC(=O)O 2084019004 ILLJKKJMMXSWFH-UHFFFAOYSA-N 430.548 4.932 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255617 PVMOSVNNPYFAEG-NQSCKRDGSA-N 429.402 4.993 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 2296677302 JXFYKMQFTRWVNE-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2313541110 SYOUUJFAANWGMW-UHFFFAOYSA-N 427.243 4.920 10 10 IJCE CCCCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OCC 2314768195 FUOIWRCPZRDQOJ-UHFFFAOYSA-N 430.389 4.906 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314831331 IQBWKWQJOMNMPV-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 33644970 LPJDDBGMZXMJDQ-BACOSTCQSA-N 448.548 4.872 10 10 IJCE CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71448818 NEQHFDMBGMUICA-UHFFFAOYSA-N 429.863 4.578 10 10 IJCE COc1ccc(N(Cc2nc(O)c3c4c(sc3n2)CCC4)Cc2ccco2)cc1F 303859206 SYUVIMAFTODZBT-UHFFFAOYSA-N 425.485 4.833 10 10 IJCE NCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(F)c1Br 383305220 QXVABTJLJKCVEV-UHFFFAOYSA-N 432.381 4.539 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526262727 ZHJZOOLIXWIMAX-XMMPIXPASA-N 445.471 4.756 10 10 IJCE COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 526417430 UHXQCFSRNLTFRQ-NRFANRHFSA-N 441.842 4.956 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1 745850892 YYUAEIBYDRMBRS-NZQKXSOJSA-N 428.646 4.819 10 10 IJCE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1 2080053751 WADCGJVQXNMKCB-OAHLLOKOSA-N 425.323 4.601 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2NCc2cccc(Br)c2O)C1 2156251747 QKDHLMFQFHDGRT-UTKZUKDTSA-N 439.394 4.814 10 10 IJCE CN1CCc2cc([C@H](N)c3ccc(Br)cc3NC(=O)OC(C)(C)C)ccc21 2163136665 VUQYCKOLEYVZSB-IBGZPJMESA-N 432.362 4.837 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)[C@H]1C(C)(C)C 2192482151 YSYNWFUPGAHWGA-WBVHZDCISA-N 445.373 4.808 10 10 IJCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1I 2234170666 GBSSVJFKQDKWJN-VHSXEESVSA-N 425.057 4.559 10 10 IJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1ccccc1 2294253454 VZLAQCBVEUZSDY-UHFFFAOYSA-N 442.327 4.615 10 10 IJCE COc1ccc(N2CCN(C(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 2325704094 HNMKDQUBBWTCEU-UHFFFAOYSA-N 428.532 4.636 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 40888213 XPHSKBMWNLRZNL-HKWRFOASSA-N 441.574 4.810 10 10 IJCE O=C1[C@H](CN2CCCCC2)SC(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 59397323 BYABZMQZQWYRSP-ZDUSSCGKSA-N 442.450 4.943 10 10 IJCE COc1cccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)c1 100712909 KMCTWWGKPPMAFH-TXYDOONASA-N 428.492 4.575 10 10 IJCE CN1CCC[C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H]1c1cccs1 745849079 QMZVZSZSXDWNEH-WZONZLPQSA-N 439.581 4.842 10 10 IJCE CC(C)c1ccc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866422146 CVPRRMAGQYTDPV-UHFFFAOYSA-N 436.467 4.679 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 1925596497 ZLXWSNJSESEEPJ-NVXWUHKLSA-N 425.367 4.737 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNCc2ccc(Br)cc2O)C1 1967846134 VFBWFBXCYWBMPI-MRXNPFEDSA-N 439.394 4.672 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1 2095861148 CTOLISKKUBCYKX-UHFFFAOYSA-N 431.296 4.754 10 10 IJCE O=C(OCc1ccccc1)N1CCC(F)(CNCc2cc(Cl)cc(Cl)c2O)CC1 2104792382 ZOHHSBRZTZJZPT-UHFFFAOYSA-N 441.330 4.930 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC(C)(C)C2)cc1Br 2150463154 HFYKUTGOUVXXTG-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNCc1cc(Br)cc(F)c1O)C2 2159692193 KFNJMIBDPWQOFI-DVSIDAKKSA-N 443.357 4.562 10 10 IJCE CC1=NN2C(=N)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1 2296394089 SPQMWBCIUBQYMJ-UHFFFAOYSA-N 433.924 4.982 10 10 IJCE CCOc1ccccc1-n1cccc1C=C1C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 2297346664 HLQZVVSCIQKGGN-UHFFFAOYSA-N 449.894 4.504 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1C 2297470125 GALKDIHGZFRYIQ-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 2314934387 ZICITVJQALGVIY-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE O=C(O)c1cccc(CN2C(=O)C(=Cc3ccccc3Br)SC2=S)c1 2326973119 HVKPEPRRPGVNTE-UHFFFAOYSA-N 434.336 4.549 10 10 IJCE COc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1 9527030 NKJWFCPKBXDOEU-UHFFFAOYSA-N 426.520 4.641 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21)N1CCOCC1 20701544 CYINAFNUABUARQ-PXARDIRTSA-N 445.346 4.998 10 10 IJCE O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 33317582 KIOLNMLJXMPYLK-JWGURIENSA-N 444.516 4.541 10 10 IJCE COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 33766924 RHPRKMPFXMHCCZ-JWQCQUIFSA-N 443.499 4.640 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)cc2C)c2ccccn2)cc1 54120857 HLLPYIKWRZWGLX-RUZDIDTESA-N 433.596 4.991 10 10 IJCE COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C\c3cccnc3)S2)cc1 206378114 VAFRORNHQGEVGV-DHNIJCFSSA-N 440.528 4.912 10 10 IJCE NCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c(Br)c1 709281957 GDLTVHDZOXWCNW-UHFFFAOYSA-N 428.418 4.790 10 10 IJCE Cc1c(Cl)cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1[N+](=O)[O-] 748860256 XNRWVJRIJKWHKD-UHFFFAOYSA-N 427.866 4.620 10 10 IJCE CC(=O)N1CCCN(c2ccc(F)cc2NCc2cc(Cl)cc(Cl)c2O)CC1 790933981 CKYBKFMZMMKLAR-UHFFFAOYSA-N 426.319 4.509 10 10 IJCE Brc1cc(CN[C@H]2CCO[C@@]3(CCSC3)C2)ccc1N1CCCCC1 1474062116 HHZMMUOMYWEPBT-PXNSSMCTSA-N 425.436 4.584 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4s3)CC2)cc1 1544746813 ZESCQCRHZFDOLD-UHFFFAOYSA-N 431.355 4.635 10 10 IJCE Cc1cc(C(=O)Nc2cccc3nc(O)[nH]c23)c(C)n1-c1ccc(Br)cc1 1625536497 KVZGFIHXOCAKST-UHFFFAOYSA-N 425.286 4.691 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2)sc(C)c1-c1ccc(F)cc1 1860747103 UXDJPQRDTDLEJT-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3c[nH]c4ccc(Br)cc4c3=O)cc2)cc1 1866070063 GLKBLGVSRSAREU-UHFFFAOYSA-N 448.320 4.716 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873167288 ZSDSWXOCKPQUNG-FDDCHVKYSA-N 433.596 4.998 10 10 IJCE CC(C)(C)OC(=O)NCCc1ccc(NCc2cc(Br)cc(F)c2O)cc1 1925117182 HOZKTPRSXZEBJO-UHFFFAOYSA-N 439.325 4.973 10 10 IJCE CC[C@H](N[C@H]1[C@@H]2[C@@H]1CCCCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2146660258 FWVASKPPYJHYEC-HYEGPXJVSA-N 439.394 4.983 10 10 IJCE CC[C@@H](C1=NN2C(=N)C(=Cc3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 2297350851 SVWISZBRWILCKY-MRXNPFEDSA-N 442.500 4.606 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 2297476549 RCTYURHYGBRDJP-UHFFFAOYSA-N 447.607 4.552 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N([C@H](C(=O)OC)c2ccccc2)C1=O 2314768922 MPXXIBXCNISEGW-IBGZPJMESA-N 427.547 4.591 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)c1 2318753417 WMQZVMGYOJOJCD-UHFFFAOYSA-N 434.520 4.629 10 10 IJCE FC(F)(F)c1cc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 2330181595 ADPLFGJNFLPULS-UHFFFAOYSA-N 426.826 4.904 10 10 IJCE Cc1ccc(CNC[C@]2(CNC(=O)OC(C)(C)C)CC23CCC3)c(O)c1Br 2380805474 NNGQDUCYTQTBEU-NRFANRHFSA-N 439.394 4.638 10 10 IJCE CCCN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 380479456 KRAFCRMWPIAFKI-WMQCIHAUSA-N 428.418 4.973 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526493246 IFCNVIZNKMOKFP-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cc(C)on1 802628375 OKJVUFGSXIQVMK-UHFFFAOYSA-N 448.571 4.712 10 10 IJCE CC[C@@H](C)N(C(=O)c1cc(OC)cc(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910472 JDZMDMCSHDWJDE-MRXNPFEDSA-N 443.499 4.925 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2c2ccc(OC)cc2)ccc1O 1865649765 CUTBOBXENTUGTI-KGENOOAVSA-N 446.478 4.769 10 10 IJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(C)C 2079596066 ROCXUVMDVLNDHH-UHFFFAOYSA-N 438.231 4.946 10 10 IJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](CC)c2ccc(OC)cc2O)c1Br 2080033311 JQHQNTSFTWVFFV-CQSZACIVSA-N 437.334 4.587 10 10 IJCE CC[C@H](N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2097282758 GWMDEXPKWOMZFD-HOCLYGCPSA-N 445.423 4.548 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21)c1cc(Br)ccc1O 2121236690 PILGWOXEZJOIBQ-XBVQOTNRSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cc(Br)sn1 2139779706 JYCBPXDQWMPZLU-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CC(C)[C@@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 2274264568 PHNXMPIFSOGYRD-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1 2321646965 WTOFKJYIZTYXIQ-UHFFFAOYSA-N 427.872 4.624 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140316 VHVAEUXXMASQQM-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE CN(Cc1c(N)cc(F)cc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2369793301 LLDAUHFJYVZBOZ-UHFFFAOYSA-N 438.341 4.832 10 10 IJCE Cc1ccc(CNC2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Br 2380807033 WFHMVSOTAOAVSA-GTPINHCMSA-N 439.394 4.588 10 10 IJCE C[C@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 312831666 NXBWHNPYBBXREJ-SFHVURJKSA-N 428.418 4.961 10 10 IJCE CC[C@H](NCC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 381881715 HHMULVPULOFIIK-RDJZCZTQSA-N 427.383 4.985 10 10 IJCE CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2)cc1 1134682151 XVSUWNVAGQNBCY-SANMLTNESA-N 445.563 4.780 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1860760620 AEGOAMGMBLUBSV-OAHLLOKOSA-N 436.533 4.634 10 10 IJCE CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1866192393 HGBFIUDAZMQHEL-MSOLQXFVSA-N 442.581 4.618 10 10 IJCE CCOc1c(OC)cccc1-c1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1 1872738182 YUHVWVFBORAAKJ-UHFFFAOYSA-N 430.508 4.956 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952879934 BROPPRGONMVDOF-LADGPHEKSA-N 447.487 4.756 10 10 IJCE O=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)SC(=S)N1c1cccnc1 2040465952 WBQQVPSLLLFPHF-UHFFFAOYSA-N 448.525 4.795 10 10 IJCE CC[C@H](NCCC1CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2091824559 ZUQKMIOZWYDNRW-PGEKIEPBSA-N 427.383 4.889 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]21 2137359218 VVDHHVVPZFJANQ-YZOIGVHSSA-N 445.785 4.590 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(OC)c3)C2=O)cc1 2296753974 JZCGKMDUIWESFN-UHFFFAOYSA-N 440.590 4.878 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(=Cc2ccccc2Cl)O3)cc1 2297384355 QLWIJQLSTMCMJW-UHFFFAOYSA-N 447.922 4.708 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl 2313682799 KXFBIQNITAUDNA-UHFFFAOYSA-N 436.270 4.784 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccc(Cl)cc1 2314831366 JLNLWQDHQSLORB-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccccc3O[C@H](CC)C(=O)O)SC2=S)cc1 2314933358 VJYZEEROJKNLKN-QGZVFWFLSA-N 443.546 4.733 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1 2332139306 SBWLRBLNUSTUSO-UHFFFAOYSA-N 446.890 4.970 10 10 IJCE Oc1ccc(Br)cc1CNc1cc(F)c(F)cc1I 2351704029 HZGRDEVSIQTNOC-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CC[C@H](NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355434015 BETZHWFSXCWYFV-HUHSQHJXSA-N 439.394 4.983 10 10 IJCE CC[C@H]1SC(=S)N(CCCCCC(=O)Nc2ncc(Cc3ccccc3)s2)C1=O 11636763 FMHMNHHEWGMRFO-QGZVFWFLSA-N 447.651 4.872 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473337 QBXDMJRXDFKHST-ZWWNWMABSA-N 441.915 4.841 10 10 IJCE C[C@H]1CCN(c2ccc(CNC3CC3)cc2Br)CCN1Cc1ccccc1 382778530 JSUAECFJGIDZQR-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 388800702 JMCYGBWGKOMDAO-XETPZZHUSA-N 429.358 4.648 10 10 IJCE C/C(=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 1444505769 KJSQSBPONJOICC-QYRZDNMNSA-N 441.547 4.677 10 10 IJCE CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC12CCCCC2 1447322159 QGYJHIACYVXIRK-UHFFFAOYSA-N 427.976 4.755 10 10 IJCE CC(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC12CCCCC2 1610976177 ISLYOOYBFBKDOU-UHFFFAOYSA-N 442.003 4.684 10 10 IJCE CC[C@H](C)[C@@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865985323 ITCBAPDXKKBFST-XDHUDOTRSA-N 441.531 4.509 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 1878709913 KANURUFVVCFHSC-WBVHZDCISA-N 445.735 4.663 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280341429 CEORXZFBPBDBHC-NSHDSACASA-N 445.142 4.710 10 10 IJCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2294216912 PGENICDWAOQSFU-UHFFFAOYSA-N 448.931 4.750 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332141047 DQUXLPKSUFPKLD-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE Cc1ccc(CNCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2380811586 MYLZCLUJEDHHMR-UHFFFAOYSA-N 441.410 4.980 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)-c3ccccc3C4)C(O)=NC2=S)cc1 1155892 GJMBAINMMRGTBX-LPYMAVHISA-N 426.497 4.938 10 10 IJCE N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 2978036 HMNWUZRSBNSSLY-FNKNWIJASA-N 438.512 4.933 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c(Br)cc1OC 13914597 VFRLPGSMPNRWSP-LICLKQGHSA-N 429.314 4.971 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)ccc1OC(C)C 33315675 SGGDCHOJRZGTAV-CXUHLZMHSA-N 428.872 4.951 10 10 IJCE COc1cccc2c1O[C@H](C)C(/C=C1/SC(=S)N(Cc3ccc(F)cc3)C1=O)=C2 33523528 GQKIUEZBZXHMSH-OTGIAGGSSA-N 427.522 4.943 10 10 IJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 36550969 BQXCCFYSGICHHY-ZYLNGJIFSA-N 448.544 4.749 10 10 IJCE Cc1ccc(CN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)SC2=S)cc1 209923848 FAMPHUZXZCVGDZ-RQZCQDPDSA-N 433.938 4.513 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226733063 FAEBHKGRLFQBOA-TYILLQQXSA-N 439.364 4.776 10 10 IJCE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1ccc(Br)cc1O 691392123 ODKFEPMMRHHEFQ-VBKZILBWSA-N 427.383 4.718 10 10 IJCE CCCCS(=O)(=O)Nc1ccc(NCc2cc(C)cc(Br)c2O)cc1 781637112 WYBPMCZTCWUQPR-UHFFFAOYSA-N 427.364 4.617 10 10 IJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cccs1 1084399125 OBOYRVOAEHQQDY-NHDPSOOVSA-N 432.545 4.882 10 10 IJCE CC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OC(C)C 1357324885 YYBVKWDJWWBPEE-UHFFFAOYSA-N 427.456 4.704 10 10 IJCE Cc1cc(CNC(=O)CCSCc2nc(O)c3ccccc3n2)c(C)n1-c1ccccc1 1471018844 WEVVIAYDINGSEU-UHFFFAOYSA-N 446.576 4.683 10 10 IJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)CCCC 1705479199 JJEZOTSMPJPXAX-HXUWFJFHSA-N 432.616 4.542 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2nc(-c3ccccn3)oc2c1 1859707638 XBVXMNHMQHRNOG-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668158 IWJDZNOCFHNNKV-KGENOOAVSA-N 444.487 4.556 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873164451 CDDCQDHVQRTOHL-HXUWFJFHSA-N 427.548 4.935 10 10 IJCE COc1cccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1951859616 ZZEWFQQDGKZDME-SANMLTNESA-N 447.487 4.629 10 10 IJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2Br)C2(C)CC2)c(O)c1 2079857654 CYQXJKLEITWSMW-CQSZACIVSA-N 433.224 4.581 10 10 IJCE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2Br)c(O)c1 2079857904 HUOVZLIGUNUKEQ-CQSZACIVSA-N 433.224 4.581 10 10 IJCE CC[C@H](NC[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2152866176 SGVOJURDOKXFIK-RDJZCZTQSA-N 439.394 4.985 10 10 IJCE COc1ccc(Br)c(CNc2cccc(CNC(=O)OC(C)(C)C)c2)c1O 2236050529 HKPCZTFVILWTBG-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1O 2297362960 QADPNGNORLMZQA-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2ccccn2)cc1 2313682389 BNACWTDJXOMKMT-UHFFFAOYSA-N 441.516 4.837 10 10 IJCE CCCOc1c(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cccc1OC 2332118500 RYWXDIILLFXBCJ-UHFFFAOYSA-N 434.414 4.841 10 10 IJCE CCN1N=C(C(F)(F)F)C(=Cc2ccc(OCCCc3ccccc3)c(OC)c2)C1=O 2332126973 NFOBTAAKADGUIN-UHFFFAOYSA-N 432.442 4.871 10 10 IJCE C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4nc5ccccc5s4)o3)S2)C[C@@H](C)O1 2429089 XITKZEASRFBLEA-QILGALRJSA-N 425.535 4.636 10 10 IJCE O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 13639996 GKLAUDIIQMPJSJ-ZYLNGJIFSA-N 426.516 4.897 10 10 IJCE CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1Br 33247518 FJTVTPJCHYJIDD-ZROIWOOFSA-N 448.704 4.675 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)c1 83310176 ITTNUDIALFRMGE-YBEGLDIGSA-N 442.313 4.639 10 10 IJCE Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1C 96462526 IEKGHBWOYAWKCS-CCHDUMJESA-N 443.507 4.901 10 10 IJCE CC[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311300601 RFVHSFZEUCUADM-RDJZCZTQSA-N 427.383 4.985 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)c1 526203430 LPWXJKBNIAUDRA-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(C)c(C)c1 1857996766 FCDSTFIMTOCBBD-UHFFFAOYSA-N 443.500 4.727 10 10 IJCE CCCC1=NN(CCC)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865673009 QAECRBLDEGLQKY-XYOKQWHBSA-N 430.140 4.709 10 10 IJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1cccc2ccccc12 1865677780 CJAIQCCRAZDDOB-GDNBJRDFSA-N 427.338 4.802 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccccc1O 1901485447 KPHOCMWDCOYZJV-XDHUDOTRSA-N 444.531 4.887 10 10 IJCE CCC[C@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 2101396718 CHCFKUJABKWVKO-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)SC(=Cc2ccc(Br)cc2)C1=S 2297287213 KIAUKQCFOJCAPG-UHFFFAOYSA-N 449.351 4.640 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC2CC(C)(C)NC(C)(C)C2)cc1 2313682375 BEMHHJHWIUMRTA-UHFFFAOYSA-N 446.595 4.619 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O 2314832029 YDXSSSVALJFVEA-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734266 OQCUPZKQKGUFSK-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)c2C)cc1 2329539751 SQXDOIIKQPYMIC-UHFFFAOYSA-N 429.564 4.574 10 10 IJCE COc1ccccc1C1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)cc1 95932792 WDTICCNRIAMQRS-UNOMPAQXSA-N 432.863 4.912 10 10 IJCE C/C(NCCc1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 104091578 LGIFSFAWWHPMTA-LGMDPLHJSA-N 430.455 4.668 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526223716 RHIKMBHGZWUILR-HSZRJFAPSA-N 447.487 4.789 10 10 IJCE CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2nc(C)cs2)sc(C)c1-c1ccccc1 754720606 MHJFFPWWLRYOMI-AWEZNQCLSA-N 443.594 4.954 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2c(Br)cccc2Br)cc1 798399811 LPJQPGWZSVINTH-UHFFFAOYSA-N 440.179 4.988 10 10 IJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2cccc(Cl)c2Cl)cc1 1858683664 YPRFBDLRBJHYND-UHFFFAOYSA-N 447.278 4.599 10 10 IJCE CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865672208 PRCJEJRFFDVCQJ-MHWRWJLKSA-N 447.304 4.884 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865674162 QICQGUURKMLXDZ-KGENOOAVSA-N 432.863 4.881 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 1865676848 NRABSZHDIAOKFC-JYRVWZFOSA-N 425.750 4.605 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@H]2CCCC[C@H]21 2179394131 XLWZVTAXEVOWLN-CGTJXYLNSA-N 439.394 4.670 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(NCc3cc(Br)ccc3O)cc2C1 2234138039 LKPVJEURAKPZRY-GOSISDBHSA-N 433.346 4.759 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2293308590 BANTVKSBZGLEMW-LBPRGKRZSA-N 433.938 4.593 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 2297298488 WDODQDZTFFPLFT-UHFFFAOYSA-N 427.504 4.686 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2ccccc2OCc2ccccc2C)SC1=S 2314760520 KUJGTJNULFKNRI-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N([C@H](C(=O)OCC)c2ccccc2)C1=O 2314769890 WQAHJNRTZSFOAY-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314836988 MRFPLRBFMMFSAR-CYBMUJFWSA-N 446.981 4.967 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Br)c1O 2329597137 JQUYPMRECXTAKH-QMMBQJITSA-N 445.785 4.590 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12)c1cc(Br)ccc1O 2330838415 PILGWOXEZJOIBQ-BSWAZPDLSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2333003595 VVDHHVVPZFJANQ-CFMVVWHZSA-N 445.785 4.590 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1 210426950 CWPXCUCGDYWDCM-UYRXBGFRSA-N 427.547 4.898 10 10 IJCE CNCc1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705668258 KDWJPNVTTGMMIQ-DHIUTWEWSA-N 428.418 4.517 10 10 IJCE COC[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1 756702687 CNAFBDCRGHEMJY-BDJLRTHQSA-N 429.152 4.956 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c4c(nc5ccc(F)cc35)CCC4)cccc21 1859616447 IRDOMNPWPLWFQU-UHFFFAOYSA-N 436.442 4.890 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873167941 DHNPHGWDOBNTDB-GOSISDBHSA-N 427.548 4.762 10 10 IJCE O=C1C(=Cc2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1cccc(O)c1 2296590709 INWMMRMLTWXYBG-UHFFFAOYSA-N 442.905 4.728 10 10 IJCE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314716802 PSUAAOFBHSAQFV-UHFFFAOYSA-N 444.553 4.569 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1 2332139307 SFHBCNPYLDMTMN-UHFFFAOYSA-N 446.890 4.970 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639991 OQJKXQBPKCVLBP-KHCICDEESA-N 442.581 4.735 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 33784075 IMLUMYBBMMHCFQ-NKFKGCMQSA-N 434.609 4.634 10 10 IJCE COC(=O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 40937989 HEBUYLGMSZBMJD-LDADJPATSA-N 447.965 4.683 10 10 IJCE CC[C@@H](C1=NN2C(=N)/C(=C/c3ccc(Br)o3)C(=O)N=C2S1)c1ccccc1 137385388 SHXFWSCQKGJCEF-WJZJYVLDSA-N 443.326 4.855 10 10 IJCE COc1cccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1OC 205959677 HYRJGUHEHOBRHK-CJLVFECKSA-N 431.467 4.980 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 687243881 OEQPKSRASTVPMT-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 687243882 OEQPKSRASTVPMT-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE COc1ccc(C[C@H](C)N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1318177723 KRRQLCSZKHBWHR-KRWDZBQOSA-N 447.526 4.538 10 10 IJCE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CNCc1cc(Cl)cc(Br)c1O 1857873112 QMNCAQLSNJZRHX-VMGRFDJRSA-N 432.786 4.902 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 1858594293 SUACDNFFLSYZDE-YFQSIASUSA-N 439.562 4.633 10 10 IJCE CC(C)(C)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721330 OLWPLQCKMLTDJQ-UHFFFAOYSA-N 425.754 4.834 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N2CCCc3ccccc32)sc(C)c1-c1ccccc1 1860747804 WTDNPEFINPDUMT-UHFFFAOYSA-N 448.544 4.818 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cccc(F)c1O 1952828550 BQLJEGCENYTBHQ-OFNKIYASSA-N 447.462 4.928 10 10 IJCE CCCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CC3)c(Br)cc21 2152259180 MCDNRODAACWBEZ-OAQYLSRUSA-N 428.374 4.859 10 10 IJCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CNC2CC2)c(Br)c1 2153292678 RKJYNCNREQZSPF-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)ccc2O)C[C@@H]2CCCC[C@@H]21 2240957793 NGLREDKWUOZWSY-WBAXXEDZSA-N 439.394 4.813 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1O 2297295831 DHRLIFVOLKRCEF-UHFFFAOYSA-N 440.315 4.708 10 10 IJCE CCCOC(=O)CCN1C(=O)C(=Cc2c(OCC)ccc3ccccc23)SC1=S 2314739978 OUQFAYQSRJBWCZ-UHFFFAOYSA-N 429.563 4.783 10 10 IJCE Cc1cc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)ccc1Br 2321745625 TVYVNSOZCXYAQU-UHFFFAOYSA-N 434.336 4.892 10 10 IJCE Cc1ccc(CNCC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352694652 WLUVIILNIZLMNV-GOEBONIOSA-N 427.383 4.636 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 6924730 RCTYURHYGBRDJP-DTQAZKPQSA-N 447.607 4.552 10 10 IJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048945 XIPUAZXNLVWCJN-ZHTGWBIJSA-N 438.618 4.890 10 10 IJCE COc1cc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 33423934 YEGKEVSZCDBKQC-LICLKQGHSA-N 435.954 4.767 10 10 IJCE Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)c(C)n1-c1cccc(Br)c1 111093766 UHJPEXBVLIHCNU-UHFFFAOYSA-N 430.390 4.557 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 250911151 XXIHIYARXAXGGF-JLHGSKIFSA-N 439.899 4.547 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(CNC2CC2)c(Br)c1 382754806 LSCSFAOZQIFSAS-GOSISDBHSA-N 428.418 4.802 10 10 IJCE C[S@@](=O)Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 734506138 FBUMMKSAWDQAIA-APYJYERMSA-N 446.532 4.725 10 10 IJCE CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)ccc1OC(C)C 1125964413 QZPIOIKVOVXRHL-UHFFFAOYSA-N 436.474 4.947 10 10 IJCE CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1135388510 DSTNTVRKXGNPTK-UHFFFAOYSA-N 448.548 4.669 10 10 IJCE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1cc(O)c(O)c(O)c1 1148581738 UHBOQQVJMGOKOL-UHFFFAOYSA-N 427.478 4.523 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc(I)cc2)c1O 1616879571 DOKKFEZOKWDGOY-SFHVURJKSA-N 439.268 4.676 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2cccn2C)cc1 1865670798 RURSMJYVYNXIQD-XSFVSMFZSA-N 436.309 4.631 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc(Cl)c1O 1865675125 PSCLIYFNFGXOOS-SDQBBNPISA-N 428.769 4.537 10 10 IJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873168153 KXQITMHOJDRRJK-QHCPKHFHSA-N 449.595 4.523 10 10 IJCE CC(C)CNCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1Br 1915158479 CTIQMFMBCILZFE-HSZRJFAPSA-N 431.418 4.972 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCCN2C 2044731771 XNWGOXLHLQMQQO-NTUVXCKYSA-N 440.584 4.601 10 10 IJCE COc1ccc(Cn2nc(C(C)(C)C)c(C(C)(C)C)c2I)c(O)c1 2079818055 LXSCCBFXFOVMKW-UHFFFAOYSA-N 442.341 4.845 10 10 IJCE COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1Oc1nc(Cl)ncc1F 2296412397 PHDMRXAOILLDQY-UHFFFAOYSA-N 438.846 4.876 10 10 IJCE CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(C(N)=S)[C@@H]3c2ccc(N(C)C)cc2)cc1 2296887386 MVHSLZMRKZFDTM-LADGPHEKSA-N 433.625 4.659 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560502 VYVKOLJCHUOMOF-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE CC1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)S2)CC1 2314433740 RUBNJNZWNBJPPZ-UHFFFAOYSA-N 431.539 4.527 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314539567 WDGGHRRXWVTRPA-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccccc2)SC1=S 2314836662 ICRRPUCNDIXCIH-LBPRGKRZSA-N 436.480 4.934 10 10 IJCE O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1CCc1ccc(O)cc1 2323675314 AYPONDHRRWKXNI-UHFFFAOYSA-N 438.343 4.738 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468737 CEOPADWUKNSSMC-GLDPYIMESA-N 432.520 4.683 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 15046669 ZOCVHGDXOZMKAB-AHEVQNHNSA-N 426.441 4.527 10 10 IJCE C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3OC)c2)SC1=S 33430269 BZFUULHMNARYLT-PGMHBOJBSA-N 441.574 4.930 10 10 IJCE COc1ccc(/C=C2\SC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=S)cc1 34828875 MHKQKERTACUZQK-OCKHKDLRSA-N 442.606 4.617 10 10 IJCE CCc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 38162230 OPLKEJDBYORAQM-FOCLMDBBSA-N 445.363 4.740 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 54620633 PXLSVYBUYCKSPA-HSZRJFAPSA-N 443.503 4.730 10 10 IJCE CCCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)Cc1ccccc1O 110990116 NRFOOZAFTXVXQM-UHFFFAOYSA-N 435.549 4.778 10 10 IJCE CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244062 ZIUPAUCCFOWKDZ-UHFFFAOYSA-N 446.311 4.594 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(S)ccc1O 687755944 SRNVLOHSZRQDAN-NRFANRHFSA-N 435.501 4.735 10 10 IJCE NCc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715011140 SFTACPWWNIGVAV-RTBURBONSA-N 432.381 4.538 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](c2cncc(Br)c2)C2CC2)c1 790624378 ZILKQQPGOOPDGQ-INIZCTEOSA-N 426.152 4.862 10 10 IJCE CC(=O)Nc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 915864901 HKFMXXKOPPJPTH-QFIPXVFZSA-N 427.464 4.804 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1084560708 IQXVCMUQSJBKSU-RIYZIHGNSA-N 436.103 4.723 10 10 IJCE Cc1cc(C(=O)Nc2cccc3ncnc(O)c23)c(C)n1-c1cccc(Br)c1 1154582003 HLNLLLJTPMZCFO-UHFFFAOYSA-N 437.297 4.758 10 10 IJCE Brc1cc(CN2CCSC3(CCOCC3)C2)ccc1N1CCCCC1 1560768706 ICYYJUULYIKPQQ-UHFFFAOYSA-N 425.436 4.537 10 10 IJCE Brc1ccc(-n2cc(CNCc3ccc(N4CCCCC4)cc3)cn2)cc1 1662318515 CJKRHDUKUNWQEI-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)ccc1F 1859475955 BVBDGPWYUSLHFY-UHFFFAOYSA-N 429.454 4.811 10 10 IJCE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(N)cc1 1860083379 MWQYQJJGSDJTNZ-UHFFFAOYSA-N 430.913 4.845 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C1=O)cn2C 1860084023 LLRSSORYEIMBOK-UFWORHAWSA-N 439.518 4.809 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1OC 1860086048 HBIZWDUIFCWYKF-XSFVSMFZSA-N 426.563 4.710 10 10 IJCE COC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2)sc(C)c1-c1ccc(C)c(C)c1 1866234517 CZRYQNJQOKBCTJ-HXUWFJFHSA-N 434.561 4.780 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(C3CCCCC3)C2=O)cc1 1873163973 GDAGTJRPBRUEBD-UHFFFAOYSA-N 443.547 4.890 10 10 IJCE C[C@@H](NCc1cc(Br)ccc1O)c1csc(NC(=O)OC(C)(C)C)n1 2051182376 RKBHVTVLMLXZKW-SNVBAGLBSA-N 428.352 4.809 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079875844 ACWULXAKPLBUHO-AWEZNQCLSA-N 447.276 4.720 10 10 IJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C=O 2079954789 RBPWIGRQRSHLMJ-KRWDZBQOSA-N 440.325 4.821 10 10 IJCE COc1ccccc1NC(=O)CCN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S 2296882250 MIGRLCPSTXWCEL-UHFFFAOYSA-N 438.574 4.872 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 2321734309 ZFDRFPNCUBVILT-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE COc1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2323745958 OHSXIEXRAJIHML-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 20210423 TVPULJQOAYPQQT-JXTMRIRHSA-N 442.342 4.659 10 10 IJCE COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S 33686960 XAAPVZCFVNILSW-XIYOGDHISA-N 439.558 4.543 10 10 IJCE COCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S 38732082 ZOZDATFWAJOUDX-HKWRFOASSA-N 441.622 4.771 10 10 IJCE CC[C@@H](NCCCN(C(=O)OC(C)(C)C)C1CC1)c1cc(Br)ccc1O 381726763 POAUZTVSCSHPOQ-QGZVFWFLSA-N 427.383 4.985 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 388800693 JMCYGBWGKOMDAO-QXHGNLAOSA-N 429.358 4.648 10 10 IJCE CC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 1357976408 XEBRKZIOHKKPPU-NRFANRHFSA-N 440.544 4.696 10 10 IJCE Cc1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc2c(=O)c1C 1615247658 OSDMRQVXNLHYQJ-WRVHCEFRSA-N 434.580 4.510 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 1885865445 JQFSWTWLFHQALW-DOMZBBRYSA-N 447.801 4.837 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NCc1cc(Br)ccc1O 1924818066 NHOOHWVQZBAKGH-KSSFIOAISA-N 439.394 4.718 10 10 IJCE CCCN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1942408197 MUMARGXCYWGTIQ-NMNUPHIUSA-N 428.573 4.932 10 10 IJCE CCN1C(=O)C(=Cc2cn(CCOc3cccc(OC)c3)c3ccccc23)SC1=S 2293465048 MVJARMHCRSPOKZ-UHFFFAOYSA-N 438.574 4.950 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(CCC4=CCCCC4)C3=O)c2C)cc1 2296929509 AVIBXWZPBFDVDN-UHFFFAOYSA-N 447.604 4.920 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1C 2297335277 XBRLXPUVENCPMH-UHFFFAOYSA-N 429.563 4.601 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2314650725 ZANIHITWMHCYAJ-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1nccs1 2314838019 ZYEBKGGRSHWTDA-UHFFFAOYSA-N 435.571 4.683 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3cccc(Br)c3)C2=O)cc1 2332098183 XRJSMAGRQFVWBP-UHFFFAOYSA-N 425.204 4.806 10 10 IJCE COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 210910374 KOEGBOKQDMNDHX-RMENWYJGSA-N 443.546 4.511 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226739309 LFPDIJPAHTXUKV-UMEGOILYSA-N 434.536 4.977 10 10 IJCE Oc1c(F)cc(F)cc1CNc1ccc(I)cc1Br 708409090 KUTYRLCXGJZCOC-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ccnn3C)cc2Cl)C1 800721646 PVPANFDKNTWLCE-JTSKRJEESA-N 429.996 4.747 10 10 IJCE O=C(CCc1csc(-c2ccncc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868173896 SCILJWLOVMGXSP-UHFFFAOYSA-N 439.496 4.552 10 10 IJCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902271880 RRUKXHICQTYPAC-KRWDZBQOSA-N 445.523 4.749 10 10 IJCE COc1cccc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1951657931 PIPDYUSSCDCFIQ-JOCHJYFZSA-N 447.487 4.845 10 10 IJCE CC[C@H](N[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2036152143 VXRPCCUCCSFRHO-ICSRJNTNSA-N 447.373 4.997 10 10 IJCE Cc1c(C2CCC2)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079789630 PYEIZQBKTDSKIU-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE COc1ccccc1N1C(=O)NC(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C1=O 2296943110 UWJGGROIEUUBDJ-UHFFFAOYSA-N 437.455 4.510 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1 2297347746 YNLKODCAAGEKCH-UHFFFAOYSA-N 431.492 4.602 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314936706 ZZMSTFIKYXYOML-CQSZACIVSA-N 443.546 4.651 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc(Br)c1O 2332110945 SNZPYZGTLJBWFB-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE O=C1N=C(O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 2211793 KSXJCDZCYNDKGP-JJIBRWJFSA-N 449.510 4.599 10 10 IJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1 14550241 ZSIOTUAGFWGCPJ-HWBMXIPRSA-N 438.593 4.942 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc(Cl)c1O 33432421 DPFMJGRATHCDPS-LICLKQGHSA-N 435.954 4.854 10 10 IJCE CN1C(=O)/C(=C\c2ccc(OCCOc3cccc(C(F)(F)F)c3)cc2)SC1=S 33447295 GVJSNOSCOWPTID-GZTJUZNOSA-N 439.480 4.994 10 10 IJCE Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 34690229 JYORWXDFDZEEOM-CJLVFECKSA-N 448.906 4.568 10 10 IJCE Cc1ccccc1N1C(=O)/C(=C2/SC(=S)N(c3ccccc3C)C2=O)SC1=S 35649087 VAPYMIFDHSSPML-NXVVXOECSA-N 442.612 4.945 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)c1 59377610 COPDZYFDHOOLHT-GIJQJNRQSA-N 434.970 4.936 10 10 IJCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(I)cc1 101114323 ZHJOVFQZIBXZID-GZTJUZNOSA-N 431.277 4.627 10 10 IJCE CC(C)(C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 706716431 PVCMORWYKJTQCN-UHFFFAOYSA-N 428.418 4.659 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 1674588722 KVJZNOPLNVUYIH-UHFFFAOYSA-N 431.483 4.898 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)CC12CC2 1965986835 BXKSZWKTYYWMOK-AWEZNQCLSA-N 445.785 4.830 10 10 IJCE O=C(NN1C(=O)C(=CC=Cc2ccccc2)SC1=S)c1csc2c1CCCC2 2040464706 YYDIIXBTZSDSOF-UHFFFAOYSA-N 426.588 4.729 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C=O)c1I 2080051931 GKVNQJVQRNMABE-GFCCVEGCSA-N 434.224 4.560 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Br)ccc2O)CC1(C)C 2115821282 UWCQXUZBPYQCEU-CQSZACIVSA-N 427.383 4.670 10 10 IJCE C[C@H](O)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2152790266 NUZOZNIOJNQJAR-INIZCTEOSA-N 439.344 4.850 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2321586544 MKEYKNSAHBHEMY-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2cccc(O)c2)cc1 2332094800 IZYRBRQUPRRHBY-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 1157524 KLLVSZKCWUHOGK-NDENLUEZSA-N 435.526 4.705 10 10 IJCE COc1cccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2457244 QSINWJATUNRXON-UHFFFAOYSA-N 440.503 4.543 10 10 IJCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14550781 BXTIYAIIMHBUJP-SXWKCWPCSA-N 439.537 4.596 10 10 IJCE CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccccc3F)N2)c1O 20764066 LYSPWHIHUMCJFB-CPJSRVTESA-N 434.467 4.881 10 10 IJCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=S)o2)cc1 33568227 CHKJCPNIKXXUIX-PDGQHHTCSA-N 442.543 4.636 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1 54620927 JSHDMWNCCCERBJ-JOCHJYFZSA-N 442.471 4.715 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 96568972 INWFJBSLTAYOKG-NCNWTYLVSA-N 448.548 4.872 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2cc(OC)ccc2OC)cc1 205960820 JJFMVHQDHHUVCJ-JJIBRWJFSA-N 443.503 4.849 10 10 IJCE CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 785567596 ZGSQUJWFGWMFMZ-ROUUACIJSA-N 438.547 4.652 10 10 IJCE Cc1cc(C(=O)CSc2nnc(O)n2CCc2ccccc2)c(C)n1-c1ccccc1 1307253915 TTYVOZHQYOMLEP-UHFFFAOYSA-N 432.549 4.609 10 10 IJCE COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)cc1 1544744310 IORCLAGUHPIVKN-UHFFFAOYSA-N 435.593 4.833 10 10 IJCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(C)cc4C)n3)ccc21 1859572648 XHXJWHCQUWKOQH-UHFFFAOYSA-N 441.578 4.527 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(C)ccc4C)cc3)CC2)cc1 1872883098 ZHHHSWVCCHXHIW-UHFFFAOYSA-N 429.564 4.887 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)CC2)cc1 1872883912 CNZQQTJRQXFATR-UHFFFAOYSA-N 449.982 4.601 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(CN)c1I 2079997376 BQURNQQYHAWUMJ-INIZCTEOSA-N 439.341 4.536 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cn1 2294034611 KQPMQTYISQIACF-UHFFFAOYSA-N 430.420 4.597 10 10 IJCE Cc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c(O)c1Br 2381142432 KMHJGGGTMWDODY-MRXNPFEDSA-N 439.394 4.590 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 14471315 XXIHIYARXAXGGF-GSHUGGBRSA-N 439.899 4.547 10 10 IJCE COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15037842 ZPTUYCVPLRGMQU-ATVHPVEESA-N 432.954 4.579 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1 15039128 YWETWSBHTFQXHR-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CCCCOC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 40888766 YAXXOEFPHMDECO-ZHZULCJRSA-N 441.574 4.810 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccccc3)C(=O)N=C2S1 102465132 YCTOPFHZTPFCQO-LHKJMMSFSA-N 434.521 4.564 10 10 IJCE Cc1ccc(N2CCN(CN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)CC2)cc1 195786081 WOWYCCYHCFEKSE-UPFJJGCZSA-N 435.618 4.532 10 10 IJCE CCCCOC(=O)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 206469891 YAXXOEFPHMDECO-XSFVSMFZSA-N 441.574 4.810 10 10 IJCE CN(C)c1ccc(CN2CCC[C@H](COc3ccccc3C(=O)N3CCCCC3)C2)cc1 581775853 XQCKENJFINKLFU-QHCPKHFHSA-N 435.612 4.670 10 10 IJCE CCCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705626145 XEUNPIHBVXGWQA-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE Cc1cc(CCNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)c(C)n1-c1ccccc1 742497717 BYRHFGGSOCCMQD-UHFFFAOYSA-N 437.540 4.684 10 10 IJCE Cc1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c(C)n1-c1ccccn1 746911775 CUKJHASMYNEPMG-FQEVSTJZSA-N 449.555 4.703 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2ccc(C(F)(F)F)cc2nc1O 1570581924 OXNKSPXABZYLNB-UHFFFAOYSA-N 429.442 4.880 10 10 IJCE CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)C(C)C 1654253343 PYIJQNMYDLTTRN-NFBKMPQASA-N 449.517 4.849 10 10 IJCE Cc1ccc2c(O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc2c1C 1866489788 VFDXVOQPIVKVER-DEOSSOPVSA-N 446.595 4.580 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccccc1C(F)(F)F)c1ccccn21 1873944273 LYGZTCDSZJHFIX-UHFFFAOYSA-N 434.373 4.986 10 10 IJCE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2296545558 ZPMLJCGCTUVNQV-UHFFFAOYSA-N 449.557 4.524 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(I)cc1 2296734964 NPBXMLJWMODTTK-UHFFFAOYSA-N 437.668 4.663 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 2297461748 QRGKWPIRRACORI-UHFFFAOYSA-N 439.471 4.595 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314650394 DQEHYUJRUCWREV-MRVPVSSYSA-N 428.318 4.928 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)C(O)=NC2=S)cc1 1215931 XHKXUIKHBVOPDK-RCCKNPSSSA-N 444.512 4.946 10 10 IJCE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15046906 VNMIGMDSGHWVRX-QIQQCEGHSA-N 440.590 4.918 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 40567455 PBAIYIFXBGHYHV-DPVXPKBMSA-N 428.318 4.928 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1C[C@H]1CCCO1 59109245 HOGFFYAEXLFJHK-NPBUNYCVSA-N 443.956 4.609 10 10 IJCE COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 103365615 FYISOKAIHAJGAQ-RIYZIHGNSA-N 449.688 4.615 10 10 IJCE CC(=O)N(C)c1ccc(N=N[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 575733408 REMIZVNCYYNIED-NRFANRHFSA-N 446.536 4.976 10 10 IJCE CC[C@H](C)NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586608766 JMNGMYZHEJTXAY-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(CNCc2cc(Br)cc(F)c2O)c1 715817753 JGDNKYKFRYVOEN-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE Cc1cnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nc1O 1166227434 HGWPFYQLVWMATA-CQSZACIVSA-N 433.480 4.863 10 10 IJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2079037233 FVKNEXBJNQOPPH-CYBMUJFWSA-N 433.224 4.766 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935572 UECWHXDCUZBRNF-DSKINZAPSA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)N1C[C@](C)(CNCc2cccc(Br)c2O)CC1(C)C 2228494773 PWZKLSCHKVUAHX-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 2293215249 OCRQNPSKNFOTPW-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(CC=Cc4ccccc4)CC3)c2)c1 2297525193 CFGFFQDNTBXDKI-UHFFFAOYSA-N 444.575 4.907 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)ccc1O 2321681347 LIDFNDMPZWGQBT-UHFFFAOYSA-N 426.302 4.803 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1 2321708983 IPKMEPOJCBEKCV-UHFFFAOYSA-N 433.514 4.986 10 10 IJCE CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 33431735 RTMQQODYMJEKEQ-RVDMUPIBSA-N 445.616 4.751 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1 250499687 DZWFCMAGOOXVNO-HNVPCBRESA-N 446.572 4.687 10 10 IJCE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708077385 SEKLMUXTWAYDNO-CQSZACIVSA-N 435.790 4.837 10 10 IJCE NCc1cc(F)c(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715011350 UNYQYKJWQWGXLW-DYESRHJHSA-N 432.381 4.538 10 10 IJCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(Br)cnc1O 1623924598 KFQDPWQHIWJRFZ-CQSZACIVSA-N 427.298 4.659 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(C(=O)N(C)C)cc2)sc(C)c1-c1ccc(C)cc1 1866208249 HIWOIEAULCTVTQ-UHFFFAOYSA-N 436.533 4.773 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)c1 1872884624 NASATJYAOIYSEG-UHFFFAOYSA-N 448.998 4.981 10 10 IJCE CCN(CC)c1ccc([C@H](N)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 2044764468 MXVHOLMPUURQPO-XMMPIXPASA-N 440.632 4.560 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(N)c2I)cc1C 2079848937 PKSLSACDESRDPO-AWEZNQCLSA-N 435.256 4.575 10 10 IJCE C[C@@H](NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192611910 UNKRRSUCOPAJTJ-GFCCVEGCSA-N 435.318 4.993 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccc(I)cc2)cc1Br 2280332942 JSNZZNCOQXXUDW-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CC(C)c1ccc(N2C(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)NC2=S)cc1 2297624491 WJBOBWMLJXGYEP-UHFFFAOYSA-N 435.332 4.654 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C(=O)O)c1 2313565127 UCJJAMMJIYQLGF-UHFFFAOYSA-N 442.471 4.779 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 2314731620 CYDCCJCKXKQQPE-UHFFFAOYSA-N 443.546 4.978 10 10 IJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1C 103703996 PJNKZZAHEARXBH-PGCFBHMESA-N 449.532 4.628 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526150445 SFFXQAOLGNNYQG-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE CCCN(Cc1ccccc1O)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 801796611 QNIPNLDFUXTEKH-UHFFFAOYSA-N 447.461 4.803 10 10 IJCE Cc1cc(C(=O)Nc2cccc3ncnc(O)c23)c(C)n1-c1ccccc1Br 1177486214 UTINNSLDCNZHDM-UHFFFAOYSA-N 437.297 4.758 10 10 IJCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1626722827 KJBUGGWNPMRKMQ-AWEZNQCLSA-N 431.458 4.695 10 10 IJCE CC(=O)c1ccc(NC(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1 1653582492 REGQBTVKNKTQFO-VMPITWQZSA-N 442.515 4.819 10 10 IJCE C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc2nc(O)oc2c1 1684267135 FOWOYMQLVDIELF-MRXNPFEDSA-N 434.496 4.665 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)cc4C)c3)CC2)cc1 1872845876 BNJQEKXRJONMEH-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1984694855 MYCZFMKTMPXUDI-UZUQRXQVSA-N 447.539 4.851 10 10 IJCE Oc1ccc(Cl)cc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079836419 BPJOBMWTVJNFHU-UHFFFAOYSA-N 442.606 4.791 10 10 IJCE CC[C@H](NCC1(F)CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2105022200 AXKLZZGTRFZFDZ-BTUGKURYSA-N 431.346 4.591 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148939114 OIXADVREVDFAHX-HOJAQTOUSA-N 428.418 4.817 10 10 IJCE CC[C@@H](NCC1CC(F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168244990 LZIPXSUVGPQBDR-WGAFOPHPSA-N 445.373 4.838 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2185903955 NMDYDLNMNMTBJM-WMZOPIPTSA-N 439.394 4.985 10 10 IJCE CN[C@@H](c1ccccc1O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401031 ZUKQTKFDZBILQN-MJGOQNOKSA-N 435.362 4.551 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1 2294034525 ACHYPZGUAGKUGJ-UHFFFAOYSA-N 443.459 4.989 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296706807 VXZVFVAPWRCTNE-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE N=C1C(=Cc2ccc(OCCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 2297314549 FXQQJQBBMORCFJ-UHFFFAOYSA-N 439.924 4.965 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 2313683198 UIVIODMCUGFPNG-UHFFFAOYSA-N 448.306 4.654 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1OC 2332124642 ZMJHJUWFRDXUFX-UHFFFAOYSA-N 428.488 4.937 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1Br 2352940716 HJZFQLHUOCLYKH-HUUCEWRRSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381140578 MQIXGBYIKLSIBA-MRXNPFEDSA-N 439.394 4.732 10 10 IJCE CCCCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O 33424657 MZDXMHFIVVHDDC-NKFKGCMQSA-N 435.593 4.966 10 10 IJCE CC[C@H](NCCCN(C(=O)OC(C)(C)C)C1CC1)c1cc(Br)ccc1O 381726753 POAUZTVSCSHPOQ-KRWDZBQOSA-N 427.383 4.985 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526140950 AOOFAYDLFJGEFB-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2Cl)C1 800718507 ACDQOIKROOQAOX-JBYIUTFZSA-N 429.996 4.566 10 10 IJCE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 1083904774 WQYJYUYPQVMECO-GZTJUZNOSA-N 432.954 4.788 10 10 IJCE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)CC1 1705771082 GWDMTVFJUWOSSY-UHFFFAOYSA-N 425.627 4.859 10 10 IJCE COC(=O)c1c(NC(=O)C2CCC(C(=O)O)CC2)sc(C)c1-c1ccc(C)c(C)c1 1866059631 REZKWRXARTYXIM-UHFFFAOYSA-N 429.538 4.956 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc(OCC(C)C)c3)C2=O)cc1 1872957927 LBLLEBGJAPPQRL-UHFFFAOYSA-N 430.504 4.971 10 10 IJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873164650 LAEYRWCQZNXKRY-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE CC[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2094044651 ZVQXZZKLDQPVFB-WBVHZDCISA-N 425.367 4.595 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2296684258 RIPDHZYJCDNKQN-UHFFFAOYSA-N 449.557 4.605 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(O)cc2O)cc1 2332095938 IFSDQNWVDRQVHA-UHFFFAOYSA-N 434.879 4.590 10 10 IJCE Cc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2-c2ccc(Cl)cc2)cc1C 11730788 JRJDLUDECPIVSI-UHFFFAOYSA-N 438.940 4.620 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469263 UGPGXVFJGFCGQO-GLDPYIMESA-N 434.536 4.975 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 14474191 ZAWOZOGEWIXLGC-ZYLNGJIFSA-N 432.545 4.697 10 10 IJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15046387 VQEZKRDAWDMHIV-HIPMGEKLSA-N 425.510 4.535 10 10 IJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccc(C)c(C)c3)c3ccco3)CC2)cc1 38619963 HUVHYNQWLYXTOT-DEOSSOPVSA-N 448.567 4.590 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 59862191 SATVEJAKXAIQCX-JCMHNJIXSA-N 428.444 4.781 10 10 IJCE Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 71326753 SGDPMANJZOJVEV-UHFFFAOYSA-N 427.961 4.774 10 10 IJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)cc1 526159027 NAHPLDMZUWCWEC-VWLOTQADSA-N 442.515 4.889 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3ccc(-c4csc(C)n4)cc3)CC2)cc1 726710152 XZZUHYDYSWQWJN-UHFFFAOYSA-N 436.581 4.595 10 10 IJCE COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)CC2)cc1 1858084521 ZJBPGBHZADUYMG-UHFFFAOYSA-N 447.579 4.847 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)ccc1O 1860086125 LOTXGNSJGPVQGO-XSFVSMFZSA-N 426.563 4.797 10 10 IJCE COc1ccc(OCCCc2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)cc1 1872807613 WKNBVPKDFNVREK-UHFFFAOYSA-N 444.535 4.901 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165354 JQJFDCLQNKDGFN-UHFFFAOYSA-N 449.595 4.521 10 10 IJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1 1892102546 BWVDKVPSNHWLHN-UHFFFAOYSA-N 442.968 4.527 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)c1ccc(N2CCCC2)cc1 2044731532 WGQUWEIBNQFAPJ-LADGPHEKSA-N 440.584 4.820 10 10 IJCE OC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br 2240024324 RBFWYJDDRSFDFC-QHCPKHFHSA-N 429.402 4.869 10 10 IJCE CC(=O)Oc1c(Br)cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] 2297455553 OBRARIPCPRHDCO-UHFFFAOYSA-N 444.237 4.572 10 10 IJCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C 2313631160 DJWJJAQOOFDWTH-UHFFFAOYSA-N 439.943 4.850 10 10 IJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OCC)SC1=S 2314768959 MTXUZJOEAOGQNG-IBGZPJMESA-N 427.547 4.591 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140502 LPIMJLSRODWEFB-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 13637310 XTSWQQWGLPKRBG-FBLLAGFSSA-N 432.545 4.697 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468792 OFUVREVPJWMZBX-YZZKKUAISA-N 434.536 4.975 10 10 IJCE COc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(N2CCOCC2)cc1OC 20496290 NAJZUTOXJKXLGA-UHFFFAOYSA-N 426.900 4.599 10 10 IJCE c1ccc(-n2cc3c(n2)CCC[C@H]3NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 794817850 PTNDTBHQDAXHTD-HHHXNRCGSA-N 441.623 4.572 10 10 IJCE CC[C@@H](C)N(C(=O)COc1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917135 LHFIOGKGMXBNHX-GOSISDBHSA-N 427.500 4.981 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 1865672242 RJVPJJCORPNYBW-BOPFTXTBSA-N 434.414 4.840 10 10 IJCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 1865675689 VLNVIYRSGZCTEJ-CAPFRKAQSA-N 443.588 4.514 10 10 IJCE COCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1 2034753943 YRPQAFWGHGGWJQ-UHFFFAOYSA-N 431.624 4.870 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2c(O)cccc2Br)CC12CCC2 2176874242 ZXAZDFQYVRGGTH-OAHLLOKOSA-N 439.394 4.814 10 10 IJCE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 2243911117 OIJYNDHUXJIRRI-GOSISDBHSA-N 444.531 4.888 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 2297347233 NMOXAMSYXQYDLH-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)c(OC)cc1Cl 2321629401 UCTNTWOWEIYOIL-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCCC)c(OCC)c2)SC1=S 2323815979 JFVQVGRUEWNBKC-HNNXBMFYSA-N 437.583 4.719 10 10 IJCE Cc1ccc(CNc2cccc(I)c2C)c(O)c1Br 2352694696 UWDNYKDZTFSMNM-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479327 ISBMEVDIAPNSRZ-JXQFQVJHSA-N 442.581 4.561 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1 20236449 YNLKODCAAGEKCH-DRIWLZCMSA-N 431.492 4.602 10 10 IJCE CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 33447904 DPHIHZHGFLQFOF-NFECSFHCSA-N 427.547 4.914 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 59860633 BRRBOTFDRIQMAZ-QNGOZBTKSA-N 428.444 4.781 10 10 IJCE C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Br)c1 71931120 ISKWZYGUXNDODS-HNNXBMFYSA-N 434.403 4.563 10 10 IJCE CN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccc([N+](=O)[O-])cc21 104010027 LHMOTYVFTBWSRQ-IPPJXQLGSA-N 427.532 4.927 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)c(F)c1 326177154 LGGNSXAZHCWNGP-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE COc1ccc(N(CCC(C)C)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 796505498 SCXIYUSQBOHUKG-UHFFFAOYSA-N 428.554 4.806 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 1084533801 TVGGTXWLYVXASO-DEDYPNTBSA-N 428.579 4.956 10 10 IJCE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc(O)c(O)c(O)c1 1865876522 PWZHOAPHZLNHJH-UHFFFAOYSA-N 433.869 4.614 10 10 IJCE CC[C@H](C)[C@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865984879 BEYTWYUFGPFFMS-QMHKHESXSA-N 443.503 4.711 10 10 IJCE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868166961 IKVBXBFYTLRFLX-UHFFFAOYSA-N 440.430 4.746 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](c5ccco5)C4)nc(C(C)C)n3)CC2)cc1 1869102798 YEQQSEQBQHRXMN-HXUWFJFHSA-N 447.583 4.522 10 10 IJCE Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)CC2)c1 1873505805 FYGCAUOXHYUTCZ-UHFFFAOYSA-N 439.563 4.567 10 10 IJCE CC[C@@H](NC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cc(Br)ccc1O 1917716169 XVYFRKDPAVSWKG-FIWNRLKKSA-N 439.394 4.985 10 10 IJCE CN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1999527906 UCJDWBBTRABWQT-GMAHTHKFSA-N 427.589 4.513 10 10 IJCE CCCN[C@@H](c1ccccc1O)c1ccc(Br)cc1I 2207269930 YCKGVSLIPCWWEH-MRXNPFEDSA-N 446.126 4.848 10 10 IJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCCC4)cc3C)C2=O)c1 2294013807 CFSKRGAKJUHAMZ-UHFFFAOYSA-N 435.549 4.579 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1 2296135923 JDOBOCKEVQXGQN-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE O=C(NN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl 2296763956 NJTJUPFSSNUQFH-UHFFFAOYSA-N 427.309 4.679 10 10 IJCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1cccc(Br)c1 2313510695 FZRSMZMFMWXPDB-UHFFFAOYSA-N 442.309 4.725 10 10 IJCE COCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C)CC2)SC1=S 2314648300 UKIZMCIHXUPCMO-UHFFFAOYSA-N 441.622 4.709 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CNCc1cc(Br)cc(F)c1O 2360227526 BJSHQSVNVYLTQE-MJEQTWJJSA-N 443.357 4.562 10 10 IJCE Cc1ccc(CNC2CC3(CC(CNC(=O)OC(C)(C)C)C3)C2)c(O)c1Br 2381141696 CWQQBZCTJWGZHV-UHFFFAOYSA-N 439.394 4.636 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467940 BIAXQGBMKLSUSC-GCKMJXCFSA-N 445.346 4.998 10 10 IJCE CC[C@H](C1=NN2C(=N)/C(=C\c3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 20332241 SVWISZBRWILCKY-MXRQBMIWSA-N 442.500 4.606 10 10 IJCE CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCCC(=O)O 210468921 GDNTYGGMLHHFDR-MOSHPQCFSA-N 440.521 4.638 10 10 IJCE CN1CCc2cc(CNc3ccc(I)cc3Br)ccc21 312472839 VCYSPMMLOKEALK-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1Br 324630367 FSXVEKDDTOVWFM-UHFFFAOYSA-N 427.320 4.821 10 10 IJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)n2)c1 1891940057 KDBFMXXHWKDIRN-UHFFFAOYSA-N 447.391 4.677 10 10 IJCE CCN(CC)c1ccc([C@@H](N)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 2044764467 MXVHOLMPUURQPO-DEOSSOPVSA-N 440.632 4.560 10 10 IJCE O=C1SC(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2293998815 GFQPHUXZXBOLCE-UHFFFAOYSA-N 427.457 4.571 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOc3ccc(C)cc3C)c(OC)c2)SC1=S 2297500276 XHQFRQUTKGHCAW-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314769471 QXPISJFEJSFBSE-INIZCTEOSA-N 448.363 4.565 10 10 IJCE Cc1ccc(CN(C)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c(O)c1Br 2380760121 UYSHAXKQRCDVFV-UHFFFAOYSA-N 443.382 4.505 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2380801781 UYVBNSIWWWRPHV-XBVQOTNRSA-N 439.394 4.635 10 10 IJCE CCCCCCN1C(=O)/C(=C/c2c(NCCC)nc3c(C)cccn3c2=O)SC1=S 33474141 NHLLQSSGMAMTQQ-VKAVYKQESA-N 444.626 4.606 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 59566305 CYQCHUIFLZHPLT-LICLKQGHSA-N 432.303 4.875 10 10 IJCE COCCCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S 208275909 ZOZDATFWAJOUDX-HMMYKYKNSA-N 441.622 4.771 10 10 IJCE O=C(/C=C\c1cnccn1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 222123267 BMLKTVKJJSBCNP-VURMDHGXSA-N 430.252 4.764 10 10 IJCE C[C@@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 380453906 NXBWHNPYBBXREJ-GOSISDBHSA-N 428.418 4.961 10 10 IJCE Brc1ccc(S[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 1460491185 RJSIQGFQCFPXRC-OAQYLSRUSA-N 433.415 4.652 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1584260600 GPFFWCXYNKJGJX-MBSJSRAVSA-N 430.321 4.792 10 10 IJCE Brc1cc(CNCc2cccc3c2OCCCO3)ccc1N1CCCCC1 1657509901 RPHLWPSVZWESBB-UHFFFAOYSA-N 431.374 4.891 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859911187 SWQAOGDHROOFOC-HNNXBMFYSA-N 428.444 4.816 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc(OC)c(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859911354 WSAYEXXRHBCJCS-INIZCTEOSA-N 443.499 4.925 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 1860086914 ORVMXXPBFHNCFM-SFQUDFHCSA-N 428.491 4.567 10 10 IJCE CSc1cccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c1 1860715179 OWHKOYXMPKLUTF-UHFFFAOYSA-N 429.767 4.648 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCCCC2)sc(C)c1-c1ccccc1 1860760179 VAUUYHIODLBNMZ-UHFFFAOYSA-N 428.554 4.678 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1 1915496939 VLHFGUMVBNLHIS-UHFFFAOYSA-N 435.406 4.617 10 10 IJCE CCc1cccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1937207581 QCTDDZDVHUOPGM-UHFFFAOYSA-N 446.547 4.905 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2NCc2c(O)cccc2Br)C1 2156250499 IDHGYDXAKQEEFN-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)N=C2C)c1C 2294061399 ZZMOWIYWMSOANR-UHFFFAOYSA-N 430.464 4.817 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 2296474106 VVCFZZGYVOTAFE-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE CC(NCCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313683254 VRIYYEJIJDWNBO-UHFFFAOYSA-N 444.466 4.591 10 10 IJCE CCN1CCN(c2cc(NCc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9641949 JNRDAIVOELPSCA-UHFFFAOYSA-N 438.531 4.793 10 10 IJCE COc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)cc1 102444663 QRVQPWUJRTZFHP-NPQOUYBPSA-N 448.500 4.662 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccccc1 1860645608 BFONCVYSSLBXIM-GOSISDBHSA-N 442.581 4.733 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cccc(Br)c1 2163038940 LFXYKOYECMJPER-LJQANCHMSA-N 434.378 4.610 10 10 IJCE CN[C@@H](C)c1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1Br 2182309760 QPAPJWBUDYQITC-YYWHXJBOSA-N 428.418 4.973 10 10 IJCE CCN1C(=O)C(=Cc2cccc(OCCCOc3ccccc3OC)c2)SC1=S 2297347774 MOLHYVXEUDZQRQ-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE CC(C)CCN(C)c1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 2313548087 LGIICWXRLFICMS-UHFFFAOYSA-N 441.531 4.989 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1OCC 2318753319 DHZVCXBOEIOHTQ-UHFFFAOYSA-N 439.562 4.846 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)ccc1OC 2321742557 XCGHVXIWNVWGGE-UHFFFAOYSA-N 430.507 4.716 10 10 IJCE Cc1ccc(CN[C@H]2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131843 SPIHMRLHPVHXDA-JDBBQHCESA-N 439.394 4.635 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2381133183 LBPKVIGIAVKYKZ-INIZCTEOSA-N 441.410 4.978 10 10 IJCE Cc1cccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)c1C 1210649 VRFUQKDMJDAJDV-FOCLMDBBSA-N 445.363 4.794 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638936 ZGKBBQZWMCLTPL-WFXMLNOXSA-N 447.398 4.964 10 10 IJCE COc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3cc(C)ccc3O)C[C@H]21 20071104 XXRRSQTXBDQUFM-FQRUVTKNSA-N 446.503 4.969 10 10 IJCE COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3cccnc3)S2)cc1 54201498 VAFRORNHQGEVGV-MQXJPVLKSA-N 440.528 4.912 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1C 59861845 ULJYHABMKGDJIN-PDGQHHTCSA-N 431.404 4.978 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C2=O)cc1 83318206 CUSWPAPVSOHGOS-HAVVHWLPSA-N 442.471 4.960 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526355225 VURKBBVVDCZBFD-XMMPIXPASA-N 442.515 4.905 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1Br 704726700 KWJHRUBULVKQFQ-HSZRJFAPSA-N 430.434 4.905 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 1858589852 MOFYLRSENBOVKB-XSFVSMFZSA-N 429.563 4.546 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419234 VVGUMTCPCBPXDI-UHFFFAOYSA-N 448.526 4.881 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2027286089 JLVMHDPQXPSWEG-LSDHHAIUSA-N 433.774 4.734 10 10 IJCE CC[C@@H](N[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2095057895 FVZOSMPIWNRJKM-SUMWQHHRSA-N 427.383 4.841 10 10 IJCE CN[C@@H](c1ccccc1O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434067 XDICLMGGYKMWSB-MJGOQNOKSA-N 435.362 4.551 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(C)C 2314754147 LXTWQSJBFVOGBD-UHFFFAOYSA-N 437.583 4.719 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1 2318756745 SBSXUIQASFKPIF-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)cc1 96714444 QLWIJQLSTMCMJW-UCQKPKSFSA-N 447.922 4.708 10 10 IJCE CCCCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699398 RECNSQWAGBXINV-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2[nH]ccc2c1O 687755764 IOVXBLUVRWUKSA-HSZRJFAPSA-N 442.471 4.928 10 10 IJCE CNCc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 714995328 ZVJICNLFSDVOGH-NZQKXSOJSA-N 428.418 4.659 10 10 IJCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1c1ccc(Br)cc1 740919087 ARVNAZQUYPEZBF-OAQYLSRUSA-N 426.358 4.872 10 10 IJCE Brc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1N1CCCCC1 1474308176 GZBLVARJJVHTEW-UHFFFAOYSA-N 428.418 4.757 10 10 IJCE CC(=O)c1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)ccc1C 1537640960 PLQOEXPIOTWVHJ-ODLFYWEKSA-N 442.537 4.567 10 10 IJCE CC(=O)N1CCN(c2ccc(NCc3ccc(N(C)Cc4cccs4)cc3)cc2)CC1 1657859672 ZJKLNJDNEXUZDZ-UHFFFAOYSA-N 434.609 4.665 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCCc2ccccc2)c(OC)c1 1865667352 SHJRIFGZLYBZMY-HEHNFIMWSA-N 427.504 4.908 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)c(Cl)o1 1871333394 UHWYHMKXOVPDPI-UHFFFAOYSA-N 430.641 4.723 10 10 IJCE CCN1CCc2cc([C@@H](O)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044715570 VGRWLAZKSJUVHP-UPVQGACJSA-N 440.584 4.603 10 10 IJCE CN(C)c1ccc(C=C(c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 2053505164 MOHDULJQCROWJQ-UHFFFAOYSA-N 448.504 4.509 10 10 IJCE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2079007440 SNWOMLGJWNMURL-SFHVURJKSA-N 436.293 4.581 10 10 IJCE CC[C@@]1(NCc2cc(Cl)cc(OC)c2O)CCCN(C(=O)OCc2ccccc2)C1 2144434726 ZVRLTGRAPXJALU-HSZRJFAPSA-N 432.948 4.725 10 10 IJCE O=C(O)C=Cc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)cc1Br 2165055927 RUOGLBHJOANSJT-UHFFFAOYSA-N 428.326 4.733 10 10 IJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2313548751 FAHZKBXNJOQPOS-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC 2321706288 PNZRAOGYPFMPOP-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1OC 2332125677 CDPHENBIZZLYRK-UHFFFAOYSA-N 429.314 4.658 10 10 IJCE CCC[C@]1(NCc2ccc(C)c(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2352692029 HXSVSTLCKKJNPD-FQEVSTJZSA-N 427.383 4.732 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C23CCCCC3)c(O)c1Br 2380809227 AMJZVFRJTXCMEO-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)ccc1Br 15156198 HNWUUORYPLZLDQ-UHFFFAOYSA-N 437.388 4.574 10 10 IJCE Brc1cc(CNCCCN2CCc3ccccc32)ccc1N1CCCCC1 1308190015 QPSOHOJSHCLCNL-UHFFFAOYSA-N 428.418 4.982 10 10 IJCE O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)c1ccccc1 1319929170 WWIYSMFVJHNIEZ-JOCHJYFZSA-N 429.568 4.642 10 10 IJCE Brc1cc(CNCCc2cccc3c2OCCO3)ccc1N1CCCCC1 1621081128 YJPPBYVGZHRELY-UHFFFAOYSA-N 431.374 4.543 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1984694849 MYCZFMKTMPXUDI-HXOBKFHXSA-N 447.539 4.851 10 10 IJCE CCN(CC)c1ccc([C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 2044726992 AFOBXVZLTFQZHN-DEOSSOPVSA-N 441.616 4.593 10 10 IJCE NCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163326700 NRIWGTNEQCXIMZ-HSZRJFAPSA-N 428.418 4.790 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2297321557 AOPWQBCSUXLRKN-UHFFFAOYSA-N 430.320 4.652 10 10 IJCE Cc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)sc2c1 2314563204 YMXFOVUDKWUKFW-UHFFFAOYSA-N 443.550 4.584 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 2321663940 UUPYGPSVOTWZAK-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1OCC 2321733877 SEPIAIICXJJAHE-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE Cc1ccc(CNC(=O)CCN(C(=O)OC(C)(C)C)C(C)(C)C)c(O)c1Br 2380747351 SWXGNJLRSGKLKM-UHFFFAOYSA-N 443.382 4.505 10 10 IJCE C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3OC)cc2)SC1=S 33430348 HMJANNURDYBAFE-PGMHBOJBSA-N 441.574 4.930 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1Cl 107981669 WTQDNAXMBRTICO-QZTJIDSGSA-N 438.877 4.615 10 10 IJCE CN(C1=NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1)c1ccccc1C(=O)O 208345754 BZCFVPMOHWINEC-UNOMPAQXSA-N 449.444 4.660 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 226861812 YHRWLHWQJVJCJD-YZIHRLCOSA-N 449.595 4.602 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)c(Br)c1 396565454 MCUDMJFIAQYHHC-IBGZPJMESA-N 430.434 4.905 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 781630908 YEWZVPIRTNGXCB-HNNXBMFYSA-N 440.341 4.961 10 10 IJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(C)cc1C 1862356922 WSQXUQPPBCOGBF-UHFFFAOYSA-N 432.568 4.548 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951592107 LOXNUOHAEMWOBY-QFIPXVFZSA-N 447.487 4.933 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@H]1CCN(Cc2ccccc2)CC12CCC2 2154936690 MQLGPNIVHZNFAM-FQEVSTJZSA-N 433.365 4.828 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)C1=Cc1ccc(SC)cc1 2294033957 FDDLKAZMOAZHHN-UHFFFAOYSA-N 429.925 4.948 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2)N1CCc2ccccc21 36557408 SXYAVMGTKJWCAB-CUVVAGTFSA-N 444.556 4.970 10 10 IJCE Cc1ccc(C)n1-c1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1 96321982 MQZUNSAWOWZWBJ-UHFFFAOYSA-N 448.548 4.596 10 10 IJCE Cc1cc(/C=C\C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)n1-c1ccccc1 98007505 HOSTXVXLGXYJIQ-ZCPJJFRWSA-N 433.596 4.604 10 10 IJCE CCN1C(=O)/C(=C\c2cccc(OC)c2OCCOc2cc(C)ccc2C)SC1=S 102445243 JBUDXJMRIMBZFN-XSFVSMFZSA-N 443.590 4.991 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1cccc(Br)c1 526155301 KXSCPPFPAMNOFE-SFHVURJKSA-N 444.306 4.979 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)c1 526551778 PHCSFXOPEPXUGN-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1cc(I)ccc1Br 706993520 QPJNCPNKUNLSCO-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cc(C)cc(Br)c1O 781632396 JBBNPGQXINDDMM-UHFFFAOYSA-N 441.753 4.552 10 10 IJCE Brc1cc(CNC2CCN(Cc3ccccn3)CC2)ccc1N1CCCCC1 1560272666 ILTRLQVTDWUTMZ-UHFFFAOYSA-N 443.433 4.589 10 10 IJCE CCc1ccc(S(=O)(=O)Nc2c(NC)cc(C(=O)O)c(Nc3ccccc3)c2F)s1 1857996860 KLLTWNONJCBBQZ-UHFFFAOYSA-N 449.529 4.734 10 10 IJCE CCN(CC)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858589319 NJEAFWSLWDNAOJ-LTGZKZEYSA-N 426.607 4.809 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 1860086919 OZKRWXCXFNLNCZ-CPNJWEJPSA-N 426.563 4.725 10 10 IJCE CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)cc2C1=O 1865885131 WPOHMFDHMLYTQQ-UHFFFAOYSA-N 427.504 4.506 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(Br)c(F)c2)nc1-c1ccccc1 1891918545 APAQHRQJYHHCEI-UHFFFAOYSA-N 427.320 4.821 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Cl)cc(Br)c2O)C12CC2 2108029348 KEAWNDOGMIJUON-CYBMUJFWSA-N 445.785 4.687 10 10 IJCE CC[C@@H]1CN(c2ccc(CNC3CC3)c(Br)c2)CCN1Cc1ccccc1 2152173810 RPSPUKNXCPPWSS-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cc(C)n(-c2ccc(C)cc2)c1C 2294034620 LYBUEHWGGAJPNS-UHFFFAOYSA-N 430.504 4.868 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)o2)cc1 2314433477 NPKZJGQLBMTULG-QGZVFWFLSA-N 443.546 4.504 10 10 IJCE COCCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)s1 36209605 DVLWBYRXVXRLNV-UHFFFAOYSA-N 430.599 4.596 10 10 IJCE CC(C)COc1ccc(/C=C2/C(=O)N=C(O)N(Cc3ccccc3)C2=O)c2ccccc12 59109506 OYCHBUTUEZJSGG-HMAPJEAMSA-N 428.488 4.741 10 10 IJCE Cn1c(=O)c(C(=O)C[C@@H](/C=C\c2ccccc2)Nc2ccc(N)cc2)c(O)c2ccccc21 109887343 ADLYVYCXKJBESD-YXAHYSCSSA-N 439.515 4.593 10 10 IJCE CC[C@@]1(CNCc2cccc(Br)c2O)CCCCN1C(=O)OC(C)(C)C 311394108 FBRRQOUELVDGPA-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526403837 SRZOCDCWWLUWJU-XMMPIXPASA-N 430.504 4.827 10 10 IJCE COc1ccc(N(C)CCN(C)Cc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 1646617949 DEOWBNMYYCPCOE-UHFFFAOYSA-N 434.565 4.641 10 10 IJCE CCOC(=O)c1c(NC(=O)c2sc3nnc(C)n3c2C)sc(C)c1-c1ccccc1 1860768599 SZHAXPRUHPUDSU-UHFFFAOYSA-N 440.550 4.874 10 10 IJCE CCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170549 FBQNGWZJNBCING-UHFFFAOYSA-N 441.575 4.806 10 10 IJCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 2053511018 AQEGNSRWJKMZAD-UHFFFAOYSA-N 427.457 4.982 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079034844 UAPOLIZGWRUIIF-MRXNPFEDSA-N 440.325 4.857 10 10 IJCE C[C@H]1C[C@H](N(C)c2ccc(C=CC(=O)O)c(Br)c2)CN1Cc1ccccc1 2154831592 LVBMJNSEBVRFSE-JXFKEZNVSA-N 429.358 4.646 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2159219939 KNFVXMZHAWYWOU-PDFPEKILSA-N 433.365 4.827 10 10 IJCE COCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCCCC2)SC1=S 2314647805 JICJGXSNDDQGQY-UHFFFAOYSA-N 441.622 4.771 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131171 JVXPHOUHDFHJJI-FSDCSDTHSA-N 439.394 4.635 10 10 IJCE CCN1CCN(c2cc(NC3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9641678 DYZVPKCZKLQWHV-UHFFFAOYSA-N 430.552 4.926 10 10 IJCE CCc1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 13980743 CHLOIWFNTWDDGP-QZQOTICOSA-N 438.347 4.917 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)SC1=S 40938642 RGEGXJIDNCKGQV-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 102465712 BCENUGFPOXXSAQ-ONNBZHDSSA-N 436.493 4.844 10 10 IJCE FC(F)Oc1ccc(N2CCC(NC3CCN(CCc4ccccc4)CC3)CC2)cc1 765639903 HLSCXILUJGGEMZ-UHFFFAOYSA-N 429.555 4.554 10 10 IJCE COc1ccc(-c2cc3nc(CN[C@H](C)c4ccc(N(C)C)cc4)[nH]c(=O)c3s2)cc1 774479932 WLFMEPWYUHFLKS-OAHLLOKOSA-N 434.565 4.577 10 10 IJCE Brc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)ccc1N1CCCCC1 1620698683 GSNPTIGFFUELEM-OAQYLSRUSA-N 428.418 4.804 10 10 IJCE CC(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 1631531658 XTMJBGBKQXUVNV-NRFANRHFSA-N 430.548 4.573 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1O 1644847465 BMEVCNSVJYGMJJ-QGZVFWFLSA-N 432.495 4.923 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc(OC)c1OC 1860087735 QPIKRUDGGBEKIY-CXUHLZMHSA-N 439.917 4.911 10 10 IJCE CC(C)COc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721473 WNHSJVIHXFHRCU-UHFFFAOYSA-N 441.753 4.571 10 10 IJCE CC[C@H](C)[C@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865985320 ITCBAPDXKKBFST-BXKMTCNYSA-N 441.531 4.509 10 10 IJCE CCCCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1892006461 HSRKQJSOHFAAJW-UHFFFAOYSA-N 433.511 4.698 10 10 IJCE O=C(Cc1cccc(Br)c1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2033809471 JKGRBMTZJKLLFT-UHFFFAOYSA-N 438.252 4.545 10 10 IJCE Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2cc(Cl)c(O)c(Cl)c2)C1=O 2293794942 NYYKTEACMJAGLU-UHFFFAOYSA-N 437.304 4.682 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2297335161 MWIHTMWFYCLZNE-UHFFFAOYSA-N 431.231 4.508 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S 2297500087 IXNRIYWYSIZTPV-UHFFFAOYSA-N 433.938 4.789 10 10 IJCE Cc1c(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 2313564838 AXNLVKZKNONRAE-UHFFFAOYSA-N 444.343 4.625 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 2313682410 BWXXECDSNYXJAB-UHFFFAOYSA-N 445.494 4.658 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N([C@@H](C(=O)OC)c2ccccc2)C1=O 2314768925 MPXXIBXCNISEGW-LJQANCHMSA-N 427.547 4.591 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1 2321663850 BPEPHULRFGZNGD-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226741941 CEOPADWUKNSSMC-IMWIBFENSA-N 432.520 4.683 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 715825844 GFQUQIFFANCRNW-AVRDEDQJSA-N 433.365 4.686 10 10 IJCE COc1cc(CNCc2cc(C)cc(Br)c2O)cc(Br)c1OC 781628807 AQDFWATYSHZWIK-UHFFFAOYSA-N 445.151 4.533 10 10 IJCE Cc1cnc(SCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)nc1O 1651998599 KSDVHABFDBDJCO-UHFFFAOYSA-N 432.343 4.636 10 10 IJCE CC[C@H](C)N1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163897 BTXKTRHUECAMJM-INIZCTEOSA-N 433.577 4.824 10 10 IJCE O=C(Cc1csc(-c2ccccc2F)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179259 VODNIEABBNRIIP-UHFFFAOYSA-N 442.471 4.906 10 10 IJCE O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179805 QINJTRPQBQCADO-UHFFFAOYSA-N 442.471 4.906 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1csc(Br)c1 1881481644 BHMYJUFRTMWZJL-MRXNPFEDSA-N 440.407 4.672 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=S 2040867085 ZHUOVFXBENXOMC-SFHVURJKSA-N 435.526 4.844 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2293798397 SHKLQTUEBDJYNB-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 2297452810 RVZQWKOYOMOKKZ-UHFFFAOYSA-N 427.327 4.508 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2313631234 HHGWBBUUHHIPMW-UHFFFAOYSA-N 445.494 4.623 10 10 IJCE CN(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 13643787 WUISBDGWKZDSKW-SGIRGMQISA-N 437.609 4.754 10 10 IJCE COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 20070630 UGYATWFQJGRTEH-UQBPGWFLSA-N 432.476 4.660 10 10 IJCE CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)S1 34890176 CUTSQKRRVNLZKW-PXNMLYILSA-N 439.295 4.818 10 10 IJCE C/C(=C1/SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)c1ccc(Br)cc1 39859340 ZFQFAYBQCQDRAP-BOPFTXTBSA-N 448.363 4.872 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)SC1=S 206475697 AEOCEYNBVUZTAI-XMHGGMMESA-N 429.563 4.783 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226659535 MXPJUCMCPQXBRX-PQNGQFLHSA-N 425.598 4.610 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226671644 RQQBBQZQABGLOZ-MVERNJQCSA-N 432.612 4.651 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526223720 RHKDZEQQBJRZHB-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CC[C@H]1[C@H](N[C@H](CC)c2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C 704629042 KFYMKBADNKVEEG-ZACQAIPSSA-N 427.383 4.983 10 10 IJCE CC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 1264175932 GLOOIHNZZPBCRT-QFIPXVFZSA-N 436.581 4.866 10 10 IJCE CC[C@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(=O)O 1614237799 XWZPQPYUZTVMQI-VAARGRSVSA-N 427.547 4.891 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)[C@H]1C[C@H]1C 1637350411 WBKQOBKNRBATMP-CPJLOUKISA-N 429.520 4.920 10 10 IJCE CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858589198 KKQISQRLOVOBDT-GQEMFKIVSA-N 427.547 4.576 10 10 IJCE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1Cl 1858687501 MAHRJFOJFHARPE-AWEZNQCLSA-N 440.887 4.643 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cccc(Br)c3O)CCC[C@@H]12 2098311851 MNOPHRFNHMFSIN-UZLBHIALSA-N 425.367 4.567 10 10 IJCE CN[C@H](C)c1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)c(Br)c1 2153349379 SRIJJFLQVSOXKN-GOSISDBHSA-N 428.418 4.974 10 10 IJCE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(CNC2CC2)cc1Br 2159741657 GFWCRVLYPZFIIX-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1 2296683342 IZACBFSGCBGGMK-SFHVURJKSA-N 441.574 4.654 10 10 IJCE CCCCN(C)C[C@@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2297359309 IFSFJGUUHNSKEH-HSZRJFAPSA-N 444.579 4.540 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccccc1Br 2297554412 NGOZZLTXDAWWHF-UHFFFAOYSA-N 447.379 4.679 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 2313671084 CHBYUBORWGNNQR-UHFFFAOYSA-N 432.863 4.912 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1 2321698107 CJUTVLUSDNQJNG-UHFFFAOYSA-N 426.563 4.710 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C)c1C 3652001 JJSDAJSEUWSAMA-HYARGMPZSA-N 430.504 4.868 10 10 IJCE Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1C 10913204 WGQLBMRKBVGHLL-HHHXNRCGSA-N 438.527 4.798 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467936 BIAXQGBMKLSUSC-CKJXQJPGSA-N 445.346 4.998 10 10 IJCE CCc1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 16911957 ZICITVJQALGVIY-CPNJWEJPSA-N 443.546 4.517 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc1OC 20071081 IDHCTMARSZRIQK-FQRUVTKNSA-N 446.503 4.969 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 20210761 GQFAOXVVSYFFMH-WKCGMSKDSA-N 429.480 4.592 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1 54620992 VYJHQDCSLGEFQF-JOCHJYFZSA-N 446.459 4.617 10 10 IJCE O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1cccc2cccnc12 526166308 VPKCSVYMFJTQQG-HSZRJFAPSA-N 428.419 4.842 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526281527 GDXBZVMOWHMHSB-XMMPIXPASA-N 440.503 4.695 10 10 IJCE C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 766195001 MOIRCCNXVJBVEU-AVRDEDQJSA-N 443.563 4.579 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 1084115592 COUMTDKDUBZUDH-PTNGSMBKSA-N 426.856 4.570 10 10 IJCE C/C(=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 1293793519 QHWBOZZPFMRUSA-SLYOHQAMSA-N 441.547 4.677 10 10 IJCE COC(=O)c1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 1865675740 XSASPFVLTKWCDG-LCYFTJDESA-N 440.780 4.610 10 10 IJCE CCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168873 NNGZFHBKXXBNMU-UHFFFAOYSA-N 447.604 4.868 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)c(O)c1 2078982465 AZHTWPJFZUOJQU-GOSISDBHSA-N 440.325 4.507 10 10 IJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C1CC1 2079637101 TYWZEAHRWHDPPU-UHFFFAOYSA-N 436.215 4.700 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)C[C@@H]1C1CC1 2198270073 IGDDCKIGOWQUCR-NVXWUHKLSA-N 443.357 4.562 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314931763 QLNQPGGYSJDFDK-INIZCTEOSA-N 433.938 4.988 10 10 IJCE COc1cc([C@H]2c3cccn3CCCN2Cc2ccc(N(C)C)cc2)cc(OC)c1OC 37522839 DCDDETNSDDOPRR-VWLOTQADSA-N 435.568 4.575 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C/c1ccccc1O 206365738 ULKPFAKZBRSSCA-BTVXTAIASA-N 441.512 4.919 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCc1ccccc1 210759496 WYEDPXCLYDZCPI-HMMYKYKNSA-N 442.581 4.904 10 10 IJCE CN(C)c1ccc(/C=C\CN2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)cc1 211199330 BZYMQXMRNZWJHP-CLLRAFFISA-N 431.624 4.617 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 745848565 MWVABQLYNAPHPF-URXFXBBRSA-N 440.657 4.963 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 1084187025 HHGWBBUUHHIPMW-STZFKDTASA-N 445.494 4.623 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CCc1ccc(OC)cc1 1857996784 FUYSQWFFWVLDFU-UHFFFAOYSA-N 437.471 4.889 10 10 IJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)CC)CC2)sc(C)c1-c1ccc(F)cc1 1860625936 AZZKFJVVDQVKNU-UHFFFAOYSA-N 446.544 4.626 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Cl)c(Cl)c1 1860721057 DSYKJNYVBZEQJS-UHFFFAOYSA-N 438.536 4.843 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)ccc1O 1865675542 MWOJZEATWYRNAI-JYRVWZFOSA-N 441.203 4.512 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(O)cc2)sc(C)c1-c1ccc(C)cc1 1865881148 PSFHMDLPDSRKJG-AWEZNQCLSA-N 425.506 4.930 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2N)sc(C)c1-c1ccc(C)cc1 1866018895 WZSKKVCJHRSGLA-UHFFFAOYSA-N 440.521 4.670 10 10 IJCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873164956 ACMAUDOLKSGQBI-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE CN(Cc1cccc(CNCc2c(O)cccc2Br)c1)C(=O)OC(C)(C)C 1913006721 QVMXNZSRZJTTIB-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951652202 MRGQQFDPKGLKLA-JOCHJYFZSA-N 433.460 4.542 10 10 IJCE CCCN(c1cc(Br)c(CN)cc1F)C1CCN(Cc2ccccc2)CC1 2143595236 SMQASSYIABOTEJ-UHFFFAOYSA-N 434.397 4.928 10 10 IJCE N=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 2297346907 ZLAWLVWPOOLOCT-UHFFFAOYSA-N 445.935 4.993 10 10 IJCE CC1(C)CC(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)CC(C)(C)N1 2323790039 AGBBILRYXZENSD-UHFFFAOYSA-N 439.444 4.960 10 10 IJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=S 2331595205 ZRDGUNXIKDGMMD-UHFFFAOYSA-N 426.563 4.561 10 10 IJCE CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332106980 AZSBSZHYRJCJOM-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE CCC1(CNCc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 706821686 MOIBMKIWSHJSPT-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708090657 QRBKVAOMRKFLJL-CQSZACIVSA-N 433.774 4.686 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708124214 DJXGHRWUWXXRCK-KGLIPLIRSA-N 433.774 4.590 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1C(F)(F)F 743314900 UGEOWNHXVHMQNP-QINSGFPZSA-N 436.449 4.525 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 761711027 FVJGPRSPJATAQE-ZHZULCJRSA-N 438.877 4.781 10 10 IJCE CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(NC(=O)/C=C/c2ccc(C)nc2)cc1 777861043 MKGXAZCYDMKEEX-TYVLLQCESA-N 426.520 4.812 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 781911427 MNFJEONCPKUECO-UHFFFAOYSA-N 442.275 4.975 10 10 IJCE CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 1270431207 IEHJXMAABVBNRL-AEFFLSMTSA-N 428.960 4.863 10 10 IJCE C/C(=C/C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1C(F)(F)F 1275224295 BJTTUACMSMKCJR-UVTDQMKNSA-N 440.412 4.540 10 10 IJCE Brc1cc(CN[C@H]2CCO[C@]3(CCSC3)C2)ccc1N1CCCCC1 1474062115 HHZMMUOMYWEPBT-FXAWDEMLSA-N 425.436 4.584 10 10 IJCE CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=Nc1cc(F)ccc1O 1859510400 IGHYHTQRIAMICH-UHFFFAOYSA-N 429.451 4.998 10 10 IJCE CCc1cccc(OCC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)c1 1859891797 LXWVCAWWFOQYIH-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(N)c2I)cc1C 2079978425 AFFKJCKIXVPMOL-SFHVURJKSA-N 437.325 4.659 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1 2127795970 MVAOECMHSYADEO-INIZCTEOSA-N 445.735 4.808 10 10 IJCE C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccccc1O 2192612268 ZCCIRRNWPZBESN-GFCCVEGCSA-N 435.318 4.993 10 10 IJCE COc1cc(NCc2cccc(Br)c2O)ccc1CNC(=O)OC(C)(C)C 2192978465 AWKRNRDPKYCJAW-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE Cc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314828957 XBQRPBGQGILVSD-UHFFFAOYSA-N 432.954 4.584 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OC 2323675369 GTBDXZBDRUVWOO-UHFFFAOYSA-N 429.563 4.634 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2354682767 ZFNCTYKRCMYPFI-ZNIOLIJQSA-N 439.394 4.887 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(O)=NC2=S)cc1Cl 33334438 GXDBGIANKIPPMF-WQRHYEAKSA-N 437.908 4.816 10 10 IJCE COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)/C=C\c2ccccc2)cc1OC 102651410 XXGIBAITAVWFPK-OOZJCBPQSA-N 428.488 4.801 10 10 IJCE CCCCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 206929420 WYAIXGYCXPDEMB-RGEXLXHISA-N 426.563 4.720 10 10 IJCE CC[C@H](N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 311299811 DZDSFELHFJNCDS-XOKHGSTOSA-N 427.383 4.889 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2cccc(C(F)(F)F)c2nc1O 1299788388 MFZTWLUZHVBDNM-UHFFFAOYSA-N 429.442 4.880 10 10 IJCE Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 1629385000 JHNQLZVGVGYLOS-UHFFFAOYSA-N 445.567 4.752 10 10 IJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(CC)(CC)OC 1705574415 CYWMCMPLSKYEIK-UHFFFAOYSA-N 443.595 4.631 10 10 IJCE CCOC(=O)c1c(NC(=O)COc2ccc(N)cc2)sc(C)c1-c1ccc(F)cc1 1860083446 OPGNFSYQTDOQMS-UHFFFAOYSA-N 428.485 4.639 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 1860086724 CYPZZQRZXDHWIX-XDHOZWIPSA-N 426.563 4.724 10 10 IJCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O 1865676015 MBAZNKKBTNREFK-HKOYGPOVSA-N 440.499 4.954 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CC(C)C)C2=O)cc1 1873162356 RCTOQKPPMOEEOU-UHFFFAOYSA-N 441.575 4.662 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1O 1951665147 FHRVPURKZVNUJF-QFIPXVFZSA-N 435.451 4.976 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306843 MSSMZGSJBRIDSS-MBSDFSHPSA-N 428.418 4.961 10 10 IJCE CC[C@@H](NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172233973 FSHHARRXCLGRIV-AUJRIZCKSA-N 445.373 4.838 10 10 IJCE CC[C@H](NC[C@]1(F)C[C@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172279282 FSHHARRXCLGRIV-RISOHXOYSA-N 445.373 4.838 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1Br 2188883097 GQHMDDCKHSFSBF-LYHRCORUSA-N 428.418 4.830 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CCC[C@H]1CCN2Cc1ccccc1 2197393928 YFLCXHNYEGTJDM-AVRDEDQJSA-N 433.365 4.828 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2329003426 LCHMSVCZNKUUPP-BASLNEPJSA-N 425.367 4.593 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C)cc(Br)c1O 2332107007 DNTDBRBFFLDGIA-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE Cc1ccc(CNC[C@@H]2CC3(CCC3)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381127235 FSSBHLJTYLKHQV-INIZCTEOSA-N 439.394 4.732 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCCC(=O)O 16920130 WRNGSTXNALTDFF-LDADJPATSA-N 446.912 4.675 10 10 IJCE O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@@H]21 20681884 GKLAUDIIQMPJSJ-FHAGJXEFSA-N 426.516 4.897 10 10 IJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226801358 BXTIYAIIMHBUJP-QTEQDKRBSA-N 439.537 4.596 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526435201 DDOVKZCMCGIMOE-XMMPIXPASA-N 445.471 4.756 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(C(C)C)cc4)CCCC3)cc2)CC1 1632945260 MDEOXTMKCYEJEP-UHFFFAOYSA-N 447.623 4.607 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705547457 SJFAQSAQCWZSTN-IFMALSPDSA-N 444.627 4.542 10 10 IJCE CC(C)c1cccc2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866500305 OKLXEIREKGPLCO-UHFFFAOYSA-N 436.467 4.679 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873168100 JBPOHGCILXGNRA-KRWDZBQOSA-N 447.604 4.866 10 10 IJCE CCN1CCc2cc([C@@H](O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044715571 VGRWLAZKSJUVHP-VWNXMTODSA-N 440.584 4.603 10 10 IJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C1(C)CC1 2079596267 XRCDAUPOLYWOLV-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE COCCCCN(Cc1ccccc1)c1ccc(CNCCOC)c(Br)c1 2152209977 RYCSEPXQGIXGNN-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c1O 2236043920 NHGOXIPVVYLXLR-TVKQPGBESA-N 432.358 4.637 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 2321743507 XQVZREKXPNJLDI-UHFFFAOYSA-N 439.606 4.893 10 10 IJCE COc1cccc(C=CC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)c1 2329520617 IBAHTSDYDSPJAB-UHFFFAOYSA-N 425.484 4.925 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 1101775 LXJMTQWPXZPPAO-DHNIJCFSSA-N 448.563 4.563 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)SC1=S 20608712 OIGUANJHOKIWMW-YBFXNURJSA-N 444.534 4.712 10 10 IJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33923776 DIKMDTLPBSFFAD-GDNBJRDFSA-N 444.230 4.623 10 10 IJCE C[C@H](Nc1cc(Br)ccc1I)c1c(O)cccc1O 311961760 PCOBIKBCKSQKPL-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CNC2CC2)c(Br)c1 382781861 SVDPCSZXBADOGN-LJQANCHMSA-N 428.418 4.659 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526175760 HVWBOOHQRBZMBZ-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1)C1CC1 1623117552 UVCFOEWVWDUFOT-UHFFFAOYSA-N 430.552 4.927 10 10 IJCE CC(=O)c1cccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1 1860084753 IJFGTGNRRVMJGP-VGOFMYFVSA-N 433.967 4.966 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 1865680121 YOGLMRNBWGEOIG-DHDCSXOGSA-N 427.195 4.932 10 10 IJCE CCc1sc(NC(=O)c2cc[nH]n2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866196369 DFUWZWVULXCJTG-UHFFFAOYSA-N 434.315 4.502 10 10 IJCE CCOc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1872846760 QPHFMYSILAVBQB-UHFFFAOYSA-N 446.547 4.635 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)NCc1cccc(C(F)(F)F)c1)c1ccccn21 1873970128 UCFWVKGTPTZGDX-UHFFFAOYSA-N 448.400 4.664 10 10 IJCE CC(C)(C)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2078999794 VQUQZGHOBRJTKK-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]2CC[C@H]21 2121183940 OLCLSJNHJONJFH-VNQPRFMTSA-N 445.785 4.686 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1)c1cc(Br)ccc1O 2196384477 XGWZOJARCBYVJO-JENIJYKNSA-N 439.394 4.983 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)SC1=S 2295452455 OIGUANJHOKIWMW-UHFFFAOYSA-N 444.534 4.712 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 2296926592 VRIBSSWNDBTGRO-UHFFFAOYSA-N 443.572 4.796 10 10 IJCE O=C1NC(=O)C(=CC=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N1 2297612618 UZXZOXZJUMOXKB-UHFFFAOYSA-N 448.482 4.666 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(N2CCCCC2)cc1 2318757145 WPBCMHHWEGAJAB-UHFFFAOYSA-N 438.574 4.854 10 10 IJCE Cc1ccc(CN[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1Br 2352693641 QLFSNJRPUWUJRH-GOEBONIOSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1Br 2352950070 NHBHYWSLMVICNM-GDBMZVCRSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381132000 UYVBNSIWWWRPHV-MXASKKJJSA-N 439.394 4.635 10 10 IJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1C 20236328 WYSIEPIUKPJRLH-WNDUKTEYSA-N 437.883 4.686 10 10 IJCE COC(=O)c1c(O)c(/N=N/c2ccc(Cl)cc2Cl)c(O)n(-c2ccccc2)c1=O 34630817 WTZKMWYVDVOFOD-GHVJWSGMSA-N 434.235 4.758 10 10 IJCE Cc1cncc(/C=C/C(=O)Nc2ccc(N(C)C(=O)/C=C/c3cncc(C)c3)c(C)c2)c1 772164295 JMRBCMBYMAWCAV-NXZHAISVSA-N 426.520 4.730 10 10 IJCE CC(=O)c1cc(F)c(O)c(NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)c1 1471979608 GKHJVBDAUYJYJV-UHFFFAOYSA-N 446.276 4.551 10 10 IJCE Cc1ccc([C@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079053002 YAHRPQCUSBXHRU-ZDUSSCGKSA-N 435.256 4.657 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3c(O)cccc3Br)CCC[C@H]12 2098312875 PMKMLFGTGOOONV-PXNSSMCTSA-N 425.367 4.567 10 10 IJCE COc1cc(NCc2ccc(Br)cc2O)ccc1CNC(=O)OC(C)(C)C 2192905953 OIBOLDLVIFIDDE-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2243914262 BDTPBBPHQUDKJC-QGZVFWFLSA-N 447.539 4.853 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C2(CCC2)C1 2264443280 WXDBQOQJAUPVES-OAHLLOKOSA-N 445.785 4.687 10 10 IJCE CCCCc1ccc(N2C(=O)C(=Cc3cccc(OCC(=O)O)c3)SC2=S)cc1 2314930420 CWPXCUCGDYWDCM-UHFFFAOYSA-N 427.547 4.898 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC 2332125865 XNFKGXRGNDPTQU-UHFFFAOYSA-N 443.341 4.967 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccnc2)N3)cc1 14547135 DXMILAKBEOWIPD-LGVFNWMJSA-N 433.533 4.718 10 10 IJCE CC[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586622880 LYIVVBIIRDYVBQ-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE CC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1C 1152396428 ZHNSDJQFEQMENR-UHFFFAOYSA-N 441.575 4.815 10 10 IJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)cs1 1705480611 WUGRGTVPMFFOOF-QGZVFWFLSA-N 430.581 4.624 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cccc(F)c1O 1952828549 BQLJEGCENYTBHQ-NZQKXSOJSA-N 447.462 4.928 10 10 IJCE CC(C)(C)c1nn(Cc2cccc(F)c2O)c(I)c1C(F)(F)F 2079717548 ARVZBXIIPHMXSC-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1 2293713062 SJCCEHMDKDHBTC-UHFFFAOYSA-N 439.295 4.818 10 10 IJCE CC[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2361420068 FSYPRQYBHHLOQS-WMLDXEAASA-N 439.394 4.843 10 10 IJCE Cc1cc(C(=O)CSc2nnc(N3CCCC3)n2C2CC2)c(C)n1-c1cccc(F)c1 11274739 LLBGTBKKTOTATA-UHFFFAOYSA-N 439.560 4.735 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 380672953 XDBWDADTDQTTJA-RLLQIKCJSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCCNCc2cc(Br)ccc2O)CC1 400983887 SXJXOGUMTOVYCG-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 781630911 YEWZVPIRTNGXCB-OAHLLOKOSA-N 440.341 4.961 10 10 IJCE COc1ccc(N2CCN(c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cn3)CC2)cc1 1858430803 ZERDSFDXGOXWTA-UHFFFAOYSA-N 446.595 4.572 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 1860087438 XQVZREKXPNJLDI-KGENOOAVSA-N 439.606 4.893 10 10 IJCE CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865671988 JWYUIWIZCSZSDQ-LICLKQGHSA-N 447.304 4.884 10 10 IJCE CCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166085 BMDDKXIHQHHUBV-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260782 GSRIGMRQRMXRMC-HFJQGTKSSA-N 428.418 4.960 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccccc2)SC1=S 2314837420 SBENRAHFQPQPLM-GFCCVEGCSA-N 436.480 4.934 10 10 IJCE Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2(C)C)c(O)c1Br 2352682299 ZGESOJXESHIGEY-OAHLLOKOSA-N 427.383 4.731 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644887 SHIVJBOUCJGQNX-VXUOGJGISA-N 425.598 4.656 10 10 IJCE CCN(CC)c1ccc(/C=C2/NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 33662599 XKANEVFFNLEUFD-QGOAFFKASA-N 430.371 4.558 10 10 IJCE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 100148730 ILGNSMYEXSYDJK-KPKJPENVSA-N 440.670 4.769 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(CNC2CC2)cc1Br 382757535 QXNIDAWBQFSHSO-GOSISDBHSA-N 428.418 4.802 10 10 IJCE O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1CCSc1ccc(Cl)cc1 729688082 BSHAFEMCEVJXAT-GZTJUZNOSA-N 431.995 4.981 10 10 IJCE CC(=O)N(c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@H]1C[C@@H]1C 1671652472 OFIXRAWUYHMAAU-SBUREZEXSA-N 433.508 4.981 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S 1860084060 MNBIAMXUFVUKAU-VIZOYTHASA-N 430.536 4.635 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2cc(Br)ccc2[nH]1 1865975884 PULZTNHFZMARMG-UHFFFAOYSA-N 445.272 4.958 10 10 IJCE O=C(Cn1c(-c2ccco2)nc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179989 UPTOAMWCHRNFMC-UHFFFAOYSA-N 447.450 4.710 10 10 IJCE CC(C)(C)c1nn(Cc2c(O)cccc2F)c(I)c1C(C)(C)C 2079806250 GNKBXYMBJQAFFN-UHFFFAOYSA-N 430.305 4.976 10 10 IJCE CC[C@@H](NC1CC(CCNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2090001285 LNLSJWQULPKZAD-PUJMQQBBSA-N 427.383 4.889 10 10 IJCE CC[C@H](NC1CC(F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104857595 NHEHMWMNKBTWPZ-BTUGKURYSA-N 431.346 4.591 10 10 IJCE COc1ccc(Br)c(CNC2CC3(C2)CC(OCc2ccccc2)C3)c1O 2236054489 IUYJOTXCXZMTIT-UHFFFAOYSA-N 432.358 4.781 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 2293128336 AOIWDCZRHNJABF-UHFFFAOYSA-N 432.501 4.569 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1 2293250222 VBJOBUNNRQPJIN-UHFFFAOYSA-N 429.563 4.683 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2314650613 RKDFJAINNDKSAW-MRVPVSSYSA-N 428.318 4.928 10 10 IJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O)C(=O)O 2314932047 SUSQXXKWWRBSHV-JTQLQIEISA-N 437.901 4.737 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)c1 2321908613 RETDZIIQVXMXCT-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N(C)C)cc2[C@H]2C=CC[C@@H]21 14544165 RVPXIPQAKBNDPF-ZYLNGJIFSA-N 434.561 4.925 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1 33436729 DAYTWUWGEJWQPA-BKUYFWCQSA-N 428.492 4.921 10 10 IJCE O=C(O)COc1ccc(/C=C2/SC(=S)N(CCC3CCCCC3)C2=O)cc1Cl 33448390 HCXFXQKGRPTKOS-GZTJUZNOSA-N 439.986 4.975 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)c1 54620949 SPNVWVDTVAGZPS-OAQYLSRUSA-N 448.500 4.777 10 10 IJCE COC(=O)CCCCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=S 206710494 CMBPVXXLEAYNSK-RGEXLXHISA-N 429.563 4.783 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNCc1cc(Br)cc(F)c1O)C2 1179376109 KFNJMIBDPWQOFI-BZWBGLRVSA-N 443.357 4.562 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1645680212 DGMMDRWRWPDBCO-DLBZAZTESA-N 436.980 4.717 10 10 IJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)N(C)C)cc1 1858594003 GZHUGOWVSZSYJA-XAJRUKRBSA-N 444.647 4.921 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1O 1865664124 BANZWYBZOWPLAQ-UYRXBGFRSA-N 449.304 4.998 10 10 IJCE CCOc1c(Br)cc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC 1865671288 UKWQLITXQGSKFN-SDQBBNPISA-N 449.267 4.656 10 10 IJCE COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2cc(Br)ccc2F)cc1 1865673435 DUAIDEFBYWPFDH-WOJGMQOQSA-N 431.305 4.883 10 10 IJCE CCOCCOC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c1 1874172191 DCQYMYYALVLOKD-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE CN[C@@H](c1ccccc1O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2146248136 FQVMBENSPXEYJE-MJGOQNOKSA-N 435.362 4.551 10 10 IJCE Brc1cc(CNC2CC2)ccc1N1CCCN(Cc2ccccc2)CCC1 2152576087 SJLUDKDAKOSNAX-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE OCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163264913 XNCWXIZTILZUTP-HSZRJFAPSA-N 429.402 4.824 10 10 IJCE N=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2293547211 IWMRMLXJVLOWHK-UHFFFAOYSA-N 448.401 4.586 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O 2297060440 YKFHHFLMIQNQAY-UHFFFAOYSA-N 429.592 4.628 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(C)nn(-c2cccc(Cl)c2)c1O 2297321555 XQTJKRKMOGKJCK-UHFFFAOYSA-N 427.291 4.999 10 10 IJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682381 BIRJYKBFKNUKGV-UHFFFAOYSA-N 429.451 4.749 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(Cl)ccc2O)cc1 2332107672 SSXLMRRNEHRSSH-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 14476368 QUHBTBGHRMZVAG-RLSLOFABSA-N 432.545 4.740 10 10 IJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)c1 20071269 LAXYJJGUPRLGQC-SQJMNOBHSA-N 432.476 4.660 10 10 IJCE CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c2cnn(C(C)C)c2n1 98080424 LNHYSMZTZXIRKY-UHFFFAOYSA-N 445.571 4.699 10 10 IJCE CC(=O)c1cc(F)c(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)c(F)c1F 436052582 SCPZMCLOVIWNAU-UHFFFAOYSA-N 443.469 4.666 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 708091704 XDUFKPWMCOMTIO-IBGZPJMESA-N 447.801 4.935 10 10 IJCE CC(C)(C)c1cc(O)c(O)c(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727431683 UPFIYABRTZRDCK-OAQYLSRUSA-N 428.960 4.997 10 10 IJCE COc1ccc(N(C)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 1084578943 XROMRAOXSBZUFN-GZTJUZNOSA-N 449.395 4.753 10 10 IJCE COc1ccc(-c2ncccc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866165429 OEGIMIPRYRHBDB-UHFFFAOYSA-N 434.451 4.785 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873164882 XDJWBQHAPUVYEM-UHFFFAOYSA-N 447.604 4.868 10 10 IJCE COc1ccc(O)c([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951858200 FNKVIBCKNUHACQ-AREMUKBSSA-N 447.487 4.629 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc2c(c1)CCCN2C 2044757819 DANPCSQYBOCLSZ-GLYQVZKVSA-N 439.600 4.567 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(Br)c1 2151077222 XKXQSEUTCXLTII-SBUREZEXSA-N 428.418 4.960 10 10 IJCE CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1)c1cc(Br)ccc1O 2154820456 VIVYJQGBQUTUJS-DOTOQJQBSA-N 439.394 4.985 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)c1 2180961436 GFGTULIHXFDCJU-GFCCVEGCSA-N 438.326 4.959 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2ccc(O[C@H](CC)C(=O)O)cc2)SC1=S 2314929752 RFMSAJFZTBAJAR-QGZVFWFLSA-N 443.546 4.733 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O)C(=O)O 2314931103 CGWRHOZVQNYTEI-YOEHRIQHSA-N 427.547 4.891 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OCC 2318757189 XKQGKDDYVXWOET-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)c1 2321717941 PPNXEBRSOQFOEO-UHFFFAOYSA-N 443.546 4.764 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2357992607 PHOYEDPVYKSRAD-KGKJWKRHSA-N 439.394 4.887 10 10 IJCE CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5098645 VVPFSBILMLFYRC-RUZDIDTESA-N 429.564 4.685 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 20681378 MBAJXEBXRJMMAI-KHCICDEESA-N 440.565 4.535 10 10 IJCE CCCCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O 206936684 SPIMTTLPRBVNCI-RGEXLXHISA-N 426.563 4.720 10 10 IJCE C[C@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 715761891 VVFCSBPGMHBQFN-WGHIXYSZSA-N 443.357 4.560 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1620607275 METHIQKQNXZMHW-QGZVFWFLSA-N 442.531 4.828 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)ccc1O 1860085458 MKGDCSWDPIPZDK-VGOFMYFVSA-N 425.409 4.515 10 10 IJCE C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865783195 ZPRCZBCRYLYBIT-MRXNPFEDSA-N 425.484 4.747 10 10 IJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873169510 CJCLZROCVUAOGW-UHFFFAOYSA-N 427.548 4.601 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)c(F)c1 1891421114 SVRAGOHJOUCQPG-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE CN1CCCc2cc(CNCCNC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 1978831057 ZLIMMRAOXQIAOK-UHFFFAOYSA-N 441.575 4.697 10 10 IJCE CC(C)(C)OC(=O)Nc1ccccc1OCCNCc1ccc(Br)cc1O 2183227306 GMYVOMZBVGZJBM-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2294082204 QFCGHRAROCYKLG-UHFFFAOYSA-N 446.286 4.657 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c1C 2296099206 VEZMGJIUDBEMDH-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 2314831073 BVLLODSPMCQMKM-UHFFFAOYSA-N 439.537 4.927 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)C=Cc2ccc3cnccc3c2)N2CCCCC2)cc1 2330259202 ZPFRBYMNZBBMFZ-SANMLTNESA-N 428.580 4.657 10 10 IJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 20236334 DITCJLQCOYGAKI-WNDUKTEYSA-N 437.883 4.686 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1nc(-c2ccccc2)cs1 35640603 HYJRIKMUIUBASY-WJDWOHSUSA-N 441.559 4.633 10 10 IJCE COc1ccc(/C=C2\N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)c(OC)c1 39132422 LYEKQAXTPXJXRJ-STZFKDTASA-N 432.451 4.686 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 59535775 GZIPMIGOIWPLLT-ZHZULCJRSA-N 432.863 4.585 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)cc2c1 208279949 RXOCZDZCMNNIKC-XSFVSMFZSA-N 441.622 4.627 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NCc1cc(Cl)cc(Br)c1O)C2 708078772 ZAOPYIOFHREDGX-GJZGRUSLSA-N 445.785 4.828 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)c2nccn2C)cc1 1866007320 QHJNQRCLOYAJLY-XMMPIXPASA-N 426.520 4.798 10 10 IJCE Cc1cccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1 1872880059 GMXZNOBPXHXHLK-UHFFFAOYSA-N 428.580 4.636 10 10 IJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079985645 PDKBXJKWGJFJFF-GOSISDBHSA-N 439.350 4.905 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(CNCc2c(O)cccc2Br)CC1 2102875740 RSWINFBTJVYHIR-UHFFFAOYSA-N 427.383 4.575 10 10 IJCE CN1CCc2cc([C@@H](N)c3cc(Br)cc(NC(=O)OC(C)(C)C)c3)ccc21 2163138809 QVTXJIAHXSAMOL-LJQANCHMSA-N 432.362 4.837 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc(Br)cc2O)CC12CCC2 2176869714 XNFIDZCCNYRFIS-OAHLLOKOSA-N 439.394 4.814 10 10 IJCE CC(C)[C@@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2274289736 SLDNFNKTAHBDTC-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2354576198 LVOMVXSLVBBBEI-USJZOSNVSA-N 439.394 4.841 10 10 IJCE COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 6581374 DMPPYHJEYJCRNM-WOJGMQOQSA-N 437.945 4.906 10 10 IJCE Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 14132976 ZNSBPIRUHTVMRF-SFQUDFHCSA-N 434.536 4.962 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 54620629 PXLSVYBUYCKSPA-QHCPKHFHSA-N 443.503 4.730 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1Cl 59109212 JLOKTESFHGQFPD-LTUPMRBCSA-N 441.915 4.752 10 10 IJCE CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 206883504 QFIXGGQGTCJALC-ZHZULCJRSA-N 434.542 4.785 10 10 IJCE CCC1(CNCc2cccc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 388493188 DMVKPTZGEGNIJV-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE Cc1ccc(/C=C/C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cn1 799504952 APKCLTCRUHSJJT-QPJJXVBHSA-N 426.289 4.933 10 10 IJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858596176 OLSOODGINBZQJH-UFPCGSDMSA-N 441.574 4.966 10 10 IJCE CCCCOC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871200373 NFWWMHDSXQIZSY-UHFFFAOYSA-N 449.551 4.946 10 10 IJCE CCCNCc1ccc(N(C)Cc2nccn2Cc2ccccc2)c(Br)c1 1915039494 LIZRZIHEROLIMV-UHFFFAOYSA-N 427.390 4.830 10 10 IJCE CCN(CC)c1ccc([C@H](N)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999538696 RNBAODAZHIROPZ-GOTSBHOMSA-N 427.589 4.643 10 10 IJCE CCN1CCc2cc([C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044702156 KGUHYXCKOFYDIA-GLYQVZKVSA-N 440.584 4.601 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc2c(c1)CCCN2C 2044757821 DANPCSQYBOCLSZ-NWVWQQAFSA-N 439.600 4.567 10 10 IJCE CN1CCc2cc([C@H](N)c3cc(Br)cc(NC(=O)OC(C)(C)C)c3)ccc21 2163138808 QVTXJIAHXSAMOL-IBGZPJMESA-N 432.362 4.837 10 10 IJCE COc1ccc(Br)c(CN[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1O 2236055294 PISAUGYLVJOURY-KRWDZBQOSA-N 433.390 4.696 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 2295905665 SMZJJUICGYCHBL-UHFFFAOYSA-N 440.590 4.878 10 10 IJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 2297358170 GZLFLIDEBMNGEG-UHFFFAOYSA-N 438.892 4.746 10 10 IJCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)cc1 2297506052 JPVRGFJNCPTXJH-UHFFFAOYSA-N 436.467 4.631 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 2313681876 PKTBBUNSMFHZDC-UHFFFAOYSA-N 431.496 4.685 10 10 IJCE COc1cc(C=C2C(=O)N(C)N=C2c2ccccc2)ccc1OCCCc1ccccc1 2332126789 DDDKFFXCQFAGEF-UHFFFAOYSA-N 426.516 4.967 10 10 IJCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14471717 IDUXWXBPJPSBTQ-MIZPHKNDSA-N 439.537 4.596 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702983 VPRACMOAGAIBKY-FHAGJXEFSA-N 432.520 4.683 10 10 IJCE COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCCC(C)C 33923886 RRHBZWPSQJPBJK-YBEGLDIGSA-N 449.334 4.888 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C 59858707 DDKAOXGOVOOZML-XKZIYDEJSA-N 443.507 4.523 10 10 IJCE Cc1ccc(OCc2nc(C3CN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)C3)no2)cc1 581786969 WSQWDNVTCJJWHX-UHFFFAOYSA-N 442.519 4.604 10 10 IJCE Cc1c(Cl)cccc1N1C(=O)/C(=C/c2c(Br)cnn2C)SC1=S 778249051 UMROPWFTZKVQPN-MLPAPPSSSA-N 428.764 4.550 10 10 IJCE CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1083904048 QZVBHDHDWWJUCA-RGEXLXHISA-N 447.535 4.627 10 10 IJCE Brc1cc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)ccc1N1CCCCC1 1201842918 SHSHPKWNCVRHLF-BHIYHBOVSA-N 427.477 4.909 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 1865677841 FZJSNYWQLLIJNN-XNTDXEJSSA-N 430.258 4.649 10 10 IJCE CC[C@H](Nc1cnc(CNC(=O)OC(C)(C)C)nc1)c1cc(Br)ccc1O 2199640004 VSAIWAHDRZHQCR-HNNXBMFYSA-N 437.338 4.533 10 10 IJCE Cc1c(N2C(=O)C(=Cc3cccc(Cl)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296540694 HKUFJGHCCGRLAK-UHFFFAOYSA-N 441.965 4.544 10 10 IJCE Cc1cccc(C(=O)Oc2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)c1 2296727688 YLGOBLMWDCUUGS-IBGZPJMESA-N 439.558 4.594 10 10 IJCE O=C(CN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1 2296807931 BBPDPOFBQVNKDT-UHFFFAOYSA-N 432.929 4.875 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2296944789 KKBMDVVBOMDLMV-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)cc(C)c1 2297347204 OPRYXADAYKWCHT-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1OC 2321646969 XRJJUUQQLPKIGN-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21)N1CCOCC1 14467486 CYINAFNUABUARQ-IUSZMWJPSA-N 445.346 4.998 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21 14467846 GLGDCFZKBKRYGZ-RCDCFZSISA-N 433.335 4.902 10 10 IJCE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 40867451 BHJODWMFFOENDP-PDGQHHTCSA-N 447.965 4.683 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 40938682 GNMSIVOXRKAMMZ-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 96462430 XSXVNAPJRPOGOX-SFQUDFHCSA-N 439.830 4.785 10 10 IJCE C[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Br)CCN1Cc1ccccc1 382605252 RGCBJBILMTXGRY-VMSUTVGLSA-N 429.358 4.648 10 10 IJCE CC[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 401719213 AFTXNKCJTHUUIF-OCCSQVGLSA-N 441.288 4.651 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526264188 WZRLJUPVBNYPMI-XMMPIXPASA-N 445.471 4.756 10 10 IJCE Cc1cc(CCNC(=O)N[C@H](Cc2nccn2C)c2ccccc2)c(C)n1-c1ccccc1 745391413 NQDABNLYADEJDQ-RUZDIDTESA-N 441.579 4.653 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 745849963 UAXYSRQRNINTSL-NFBKMPQASA-N 428.646 4.817 10 10 IJCE C/C(=C/C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 1129661574 PAHVKYDQHYUGEE-ZROIWOOFSA-N 440.412 4.540 10 10 IJCE CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cc1 1865673068 SVCWDRADDYOXIR-PTGBLXJZSA-N 426.520 4.771 10 10 IJCE C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865782754 CYWLESFPXICJQV-MRXNPFEDSA-N 425.484 4.747 10 10 IJCE COCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420136 HCENGZJCYQJWSL-UHFFFAOYSA-N 449.938 4.586 10 10 IJCE CC[C@@H](N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2044403931 BMFFTCCSZDMBLT-KNQAVFIVSA-N 447.373 4.997 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CC3)c(N)c2I)C(C)(C)C)c(O)c1 2079002707 NFZJOCWOBHPQQY-MRXNPFEDSA-N 425.314 4.597 10 10 IJCE CN(C[C@H]1CC1(Br)Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2210249354 DVNCLSOOZQCMRA-CYBMUJFWSA-N 448.199 4.654 10 10 IJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 2232710 QJVJQIMFLLKVTC-OXFWXOROSA-N 433.291 4.879 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472924 SRABIDSZDSDXQI-WHSLLNHNSA-N 447.944 4.761 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N(CC)CC)cc2[C@H]2C=CC[C@@H]21 14545433 VBOSYARCHHDTGT-AXHZCLLHSA-N 426.582 4.942 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3C)c2)SC1=S 206862836 WPLIWGWUUDTMER-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 717442252 NRUVBLMLBPKVKL-HFSMHLIXSA-N 428.418 4.973 10 10 IJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1C 1084481952 SUMRUOVZDJTTOA-BOPFTXTBSA-N 441.325 4.856 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)CCCC 1705479196 JJEZOTSMPJPXAX-FQEVSTJZSA-N 432.616 4.542 10 10 IJCE COc1cc(OC)cc(C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)c1 1859891439 CFGYJRVLICVSPP-UHFFFAOYSA-N 429.472 4.534 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)c1 1860086927 PPNXEBRSOQFOEO-XDHOZWIPSA-N 443.546 4.764 10 10 IJCE O=C(O)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 1865675767 YXTJLRZORBTYJO-ZHZULCJRSA-N 447.288 4.982 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865679172 ZERBOSNPHSWQQQ-OEAKJJBVSA-N 446.478 4.682 10 10 IJCE CCCCOc1ccc(C=C2SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 2296759621 OZMXXCMPOFYXHH-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2297578781 OFOAZLPGPXARLO-UHFFFAOYSA-N 442.880 4.653 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)c1C 2313547912 GKNJZKQDXYIKQK-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N([C@@H](C(=O)OCC)c2ccccc2)C1=O 2314769891 WQAHJNRTZSFOAY-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE CC(=O)Nc1ccc(NC2=NC(=O)/C(=C(\C)c3ccc(Br)cc3)S2)cc1 39869994 MTTNZVHWDXOZKU-BOPFTXTBSA-N 430.327 4.880 10 10 IJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC 206851165 LGTQSRGSPATSSB-NBVRZTHBSA-N 437.583 4.720 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031282 ZKAOJHGDFVUOLN-XJABCFGWSA-N 428.418 4.960 10 10 IJCE C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1618254182 YCPZDRORPNONCH-XEPMYJLFSA-N 441.547 4.677 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3ccc(Br)cc3O)[C@H]1CC2 1967862059 DWJALBSFPCGGBF-YESZJQIVSA-N 425.367 4.565 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2c(O)cccc2Br)C1 2100267606 XSMLWZPFBMJAJM-HUUCEWRRSA-N 427.383 4.718 10 10 IJCE NCc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145261201 JRWHANOIWSFPFG-OALUTQOASA-N 432.381 4.538 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(OC)c(OC)c2)cc1 2332140293 SWIGRPAMLLLFAG-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(C(=O)NCCN(CC)CC)cc3[C@H]3C=CC[C@@H]32)cc1 14543862 XJPQDHIQILXNSQ-FXSPECFOSA-N 433.596 4.983 10 10 IJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 210743223 ZSNDVGOCQAJWPQ-NBVRZTHBSA-N 430.551 4.689 10 10 IJCE N#Cc1ccc(N=Nc2cc(C(=O)c3ccccc3)sc2N2CCOCC2)c(C#N)c1 254555491 VDPCKMSOVRSQCU-UHFFFAOYSA-N 427.489 4.974 10 10 IJCE COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c1C 254567343 SDQLWZCOFJMUJT-UHFFFAOYSA-N 435.480 4.912 10 10 IJCE CC1(C)CC[C@@H](CNCc2c(O)cccc2Br)N(C(=O)OC(C)(C)C)C1 686993183 ZFCGQYVGZDFHLF-AWEZNQCLSA-N 427.383 4.670 10 10 IJCE CCC1(CNCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1 715711745 HQUAWTNBPKWFEH-UHFFFAOYSA-N 445.373 4.811 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 1461625078 CUOADYRHGSZMSE-OAHLLOKOSA-N 445.785 4.830 10 10 IJCE Brc1cc(CNC2CCN(c3nccs3)CC2)ccc1N1CCCCC1 1474128237 ZMOYAVWHIZLJCM-UHFFFAOYSA-N 435.435 4.655 10 10 IJCE C[C@H](C[C@@H](Cc1ccc(N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1857788346 MFESDYBJHQTVTK-XLIONFOSSA-N 444.531 4.829 10 10 IJCE CCc1cccc(OCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 1859889090 KPUATLITXVNYOV-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(OC)ccc3[nH]2)sc(C)c1-c1ccccc1 1866493349 VTHRQKHHWSWNNV-UHFFFAOYSA-N 448.500 4.613 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1cc(Br)cc(F)c1O)C2 1922283150 FFKLYPFXVMNYHJ-HOTGVXAUSA-N 443.357 4.704 10 10 IJCE CC[C@@H](NCC1(F)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 2154507850 OBVDTBVXLBOCAW-MRXNPFEDSA-N 445.373 4.935 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(Br)cc2O)CC12CCCCC2 2155197194 UQYBYGDLIBNVAL-QGZVFWFLSA-N 439.394 4.957 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC(NCc3cccc(Br)c3O)CC2)C1 2156008528 RSGIPFYMFZQYQF-UHFFFAOYSA-N 439.394 4.814 10 10 IJCE CC[C@H](NC[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168240908 LZIPXSUVGPQBDR-RISOHXOYSA-N 445.373 4.838 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 2296538145 BQHWWJSCOGVWGL-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccccc1O 2296882169 KQPRVMIZTHHGIG-UHFFFAOYSA-N 432.592 4.854 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 2321699227 UBYHMRARORNYOU-UHFFFAOYSA-N 440.590 4.721 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2)N1CCc2ccccc21 14547279 VYRBZYVFBMFQBQ-CZSZKKDXSA-N 429.545 4.660 10 10 IJCE Cc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59109481 ASHWDRGQBBAVDA-BKUYFWCQSA-N 444.447 4.505 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 59396964 MMTLNFDVFBSNSH-DHDCSXOGSA-N 441.452 4.834 10 10 IJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226681066 SNFBEKCUXYGJKM-SLSDLSHTSA-N 438.593 4.657 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526237058 SZUQGSYSOLZUNE-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE COc1ccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687756079 PVMIQBICQXFJOP-AREMUKBSSA-N 447.487 4.629 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1 745850893 YYUAEIBYDRMBRS-OFNKIYASSA-N 428.646 4.819 10 10 IJCE CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 785870401 CNSGDDWYENIGAO-UHFFFAOYSA-N 442.510 4.970 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cccnc1Br 1462067316 DPGGRZNDKSKDHL-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE c1ccc(OCCc2nnc(N3CCCCCC3)n2CCCSc2nccs2)cc1 1589279529 VXQZHFCCOFASHO-UHFFFAOYSA-N 443.642 4.919 10 10 IJCE COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 1614238866 MKOVKWOBZPHTNJ-ICLFIUAQSA-N 443.546 4.510 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNCc2c(O)cccc2Br)C1 1966029401 NIZDHHGUQDLCIF-OAHLLOKOSA-N 439.394 4.672 10 10 IJCE Oc1c(Cn2ncc(-c3ccccc3)c2I)cccc1C(F)(F)F 2070258603 JXJNSUIPNONWOY-UHFFFAOYSA-N 444.194 4.927 10 10 IJCE CC[C@H]1CN(c2ccc(CNC3CC3)c(Br)c2)CCN1Cc1ccccc1 2152173809 RPSPUKNXCPPWSS-NRFANRHFSA-N 428.418 4.802 10 10 IJCE CC[C@H](NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159278469 YTZQIOOIGFDDLM-HOCLYGCPSA-N 443.382 4.567 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163307346 RENNPPUBQUQOHO-WZONZLPQSA-N 429.402 4.995 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1 2296050427 RZEIUVTYZHNVLD-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641119 MFUBXMYYKKIRMB-IXFSTUDKSA-N 434.536 4.775 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 96912700 LMFUULFMBVCULC-GDNBJRDFSA-N 433.596 4.575 10 10 IJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 205958736 XXLLHFOUMKOJSP-CJLVFECKSA-N 428.448 4.740 10 10 IJCE Cc1ccc(S(=O)(=O)N(CC(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586199618 YLLDHYGZRZUPAP-UHFFFAOYSA-N 433.529 4.622 10 10 IJCE Nc1ccc(Cc2nc(C(=O)OCCc3cc(Cl)c4c(c3)OCCCO4)cs2)cc1 751930799 KTEWJORUPJJNFC-UHFFFAOYSA-N 444.940 4.530 10 10 IJCE CC(=O)N1CCc2cc(NCc3ccc(N4CCCCC4)c(Br)c3)ccc21 1473945416 MHKLKXJWFGTWRM-UHFFFAOYSA-N 428.374 4.961 10 10 IJCE Cc1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc2c(=O)c1C 1615247656 OSDMRQVXNLHYQJ-BKUKFAEQSA-N 434.580 4.510 10 10 IJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)N(C)C)cc1 1858593915 DJXATIAFTRVGAR-FUNKKEAFSA-N 430.570 4.647 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2F)sc(C)c1-c1ccc(F)cc1 1860747188 YJISAVZNKWMSFR-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951594077 ZIFDCFHUISDYLL-HSZRJFAPSA-N 447.487 4.933 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(Br)cc3O)CCCCC[C@H]12 1967843681 KNDQKXIYPSSBNI-GHTZIAJQSA-N 439.394 4.957 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CC3)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152157038 AVGCVDAPHSKMFP-ZWKOTPCHSA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Br)cc(F)c3O)CCC[C@H]12 2154573324 IVPRZLLRHOSMKC-JXFKEZNVSA-N 443.357 4.706 10 10 IJCE CC(C)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc12 2297462937 HZOBDRWPYAWISP-UHFFFAOYSA-N 448.519 4.845 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc(OC)c1O 2332147583 LZVJWJSASAUHRZ-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469250 AOBHQDCUPNLYNE-DFIYOIEZSA-N 434.536 4.929 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)cc(C)c1 33419966 YTZYHVLZGFQSPI-DEDYPNTBSA-N 429.563 4.601 10 10 IJCE CC1=NN2C(=N)/C(=C/c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 35225762 DWYZZRYCHMUKRZ-FTNSYOLJSA-N 448.548 4.790 10 10 IJCE CC(/C=C1\SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)=C\c1ccccc1 35623367 KWWXZVGTEZVDFU-YZXVBUGESA-N 442.478 4.678 10 10 IJCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1O 100147693 MYQRJUMFBNBQSZ-KGENOOAVSA-N 426.451 4.985 10 10 IJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 102446674 GEOAMSHMWUOYFJ-RIHJCCTQSA-N 442.500 4.953 10 10 IJCE COc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C 108351474 JSGHQIJCXZMRKX-GXDHUFHOSA-N 431.536 4.765 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 388800706 JMCYGBWGKOMDAO-ZAHGZRRWSA-N 429.358 4.648 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 745848567 MWVABQLYNAPHPF-ZJSXRUAMSA-N 440.657 4.963 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1O 1648658083 PJFWDNCZACSZRB-DBVUQKKJSA-N 436.980 4.762 10 10 IJCE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705600511 BEHWZKMXCKIXTJ-UHFFFAOYSA-N 443.639 4.758 10 10 IJCE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684503 LTXVLCIMTXTUHM-INIZCTEOSA-N 448.523 4.806 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H](N)CC(C)C)sc(C)c1-c1ccc(Br)cc1 1865917794 GTSOHEMBESUNIK-AWEZNQCLSA-N 439.375 4.585 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)sc(C)c1-c1ccc(C)c(C)c1 1866093621 TVBZDIBMGOJKQT-UHFFFAOYSA-N 440.477 4.993 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(C3CC3)C2=O)cc1 1873166313 LFWWFBYADQUQOE-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873168087 IRHXHNGGVXKNAD-INIZCTEOSA-N 433.577 4.824 10 10 IJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1F 2296709403 CHLAWULNOXTTLD-UHFFFAOYSA-N 425.510 4.566 10 10 IJCE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 2313683205 ULHIZDHXSUISFE-UHFFFAOYSA-N 441.531 4.561 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)CC1 2323858327 IQXABBCMZFHXDN-UHFFFAOYSA-N 445.393 4.816 10 10 IJCE CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641543 NQDOOTYJVPMQTJ-GLDPYIMESA-N 425.525 4.954 10 10 IJCE Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c(C)n1-c1ccc2c(c1)OCCO2 105808456 YYZPIFXAEXRHLL-AREMUKBSSA-N 439.515 4.780 10 10 IJCE CC[C@@]1(c2ccc(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)cc2)CCC(=O)NC1=O 108871486 GAPBVAUBLSRDSX-SANMLTNESA-N 447.510 4.570 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S 207098679 BHAHUXLZPYUEKM-NDENLUEZSA-N 435.526 4.705 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 226713988 SQVUOGYRHWFBOD-JBYGMCGMSA-N 444.984 4.624 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526204668 XAJNRIAZYBWGJV-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE Cc1cc(I)cc(NCc2cc(Br)cc(F)c2O)c1 715818767 RJLOOTBOKJUPCR-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE CN(C)c1ccc([C@@H](CN)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 829340896 OEWARLKIISWACG-LJQANCHMSA-N 434.378 4.957 10 10 IJCE Brc1cc(CN2CCN(Cc3cccs3)CC2)ccc1N1CCCCC1 1652084998 GGBQPVMUGRVOSI-UHFFFAOYSA-N 434.447 4.819 10 10 IJCE Brc1cc(CNCc2ccnc(N3CCCC3)c2)ccc1N1CCCCC1 1652605014 FYJZTAYUUQGGTM-UHFFFAOYSA-N 429.406 4.724 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccccn1 1858588850 FTAKMUHWEZTGRB-AWNIVKPZSA-N 441.759 4.605 10 10 IJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1OCC 1858589430 QDESNFAWCBVGHG-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1858589737 HIOGMROZYZGQMY-RGFISLFNSA-N 446.638 4.714 10 10 IJCE CCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC 1860759513 UTWODQNWVDHYTR-UHFFFAOYSA-N 436.961 4.799 10 10 IJCE COc1ccc(N2CCN(C(=O)CCc3nc4ccc(Cl)cc4n3C(C)C)CC2)cc1 1873831331 FWENARCDQVHQMR-UHFFFAOYSA-N 440.975 4.561 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCC2)cc1 2044729797 JLZDEYPBJGFOFO-WDJPJFJCSA-N 440.584 4.819 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2c(O)cccc2Br)C(F)(F)CC1 2161227195 HQNYAHABUANSIB-CYBMUJFWSA-N 449.336 4.527 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2168785987 FPUICKOQBGHUSC-SFTDATJTSA-N 428.418 4.517 10 10 IJCE CN[C@H](c1ccccc1O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401030 ZUKQTKFDZBILQN-IEBWSBKVSA-N 435.362 4.551 10 10 IJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(Cc2ccc(C)cc2)C1=O 2297459839 FBLSEBQUAFWDLM-UHFFFAOYSA-N 438.549 4.849 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OCC 2321741717 IYOPECNQAYQVFW-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc(Cl)c1O 2332139765 PSCLIYFNFGXOOS-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1OC 33663886 MJUIPTSRAGNMJR-XNTDXEJSSA-N 436.352 4.872 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccco4)S3)[C@@H](c3ccccc3O)C2)cc1 54201413 RNXFMHYAYRSJJF-ZWAQGKOVSA-N 445.500 4.815 10 10 IJCE CCc1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 210445659 ZICITVJQALGVIY-UYRXBGFRSA-N 443.546 4.517 10 10 IJCE CN(C)c1ccc([C@](C)(C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 226780954 FDDZTNLVAFLMDG-HHHXNRCGSA-N 444.531 4.933 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CCNCc1cccc(Br)c1O)c1ccccc1 381013677 PZEPDKNKMWAANP-GOSISDBHSA-N 435.362 4.900 10 10 IJCE Cc1cc(I)ccc1NCc1cc(Br)cc(F)c1O 715736088 FZPCMNXQAXXIQP-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 789918657 PIUGKVDMKOMWNG-UHFFFAOYSA-N 432.568 4.534 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2nc(-c3cccnc3)oc2c1 1859706802 BLJSCLSESZSQEE-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(I)cc1 1860074836 RNEDJOQPQGJXOX-NTEUORMPSA-N 441.290 4.836 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)cc1 1927428307 FJWKEDZFQYOECX-BJKOFHAPSA-N 448.494 4.755 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1)c1cc(Br)ccc1O 2154820459 VIVYJQGBQUTUJS-WBVHZDCISA-N 439.394 4.985 10 10 IJCE COc1cccc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1OCc1ccccc1 2297535142 VKKALIJXZSRMJA-UHFFFAOYSA-N 442.471 4.779 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O)C(=O)O 2314931101 CGWRHOZVQNYTEI-RHSMWYFYSA-N 427.547 4.891 10 10 IJCE CC(C)N(C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 2329521036 XUBIUFJDNGJPMO-UHFFFAOYSA-N 446.484 4.887 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094623 ZFQICXCZCVWWAH-UHFFFAOYSA-N 428.488 4.553 10 10 IJCE Cc1ccc(CNC[C@@]23CC[C@@H]2CCCN3C(=O)OC(C)(C)C)c(O)c1Br 2381128763 ZJGOMSIXLPANSD-KKSFZXQISA-N 439.394 4.732 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3sc4nc(C(F)(F)F)ccc4c3C)CC2)cc1 108433807 XJUANZZQIZSHIM-UHFFFAOYSA-N 449.498 4.985 10 10 IJCE COCCCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCCCC2)SC1=S 208277264 JICJGXSNDDQGQY-XDJHFCHBSA-N 441.622 4.771 10 10 IJCE CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 251321588 GXYALKQQGPNYBZ-BQVUBFBJSA-N 434.536 4.975 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C\C(=O)O)c(Br)c1 383349762 WAYYARMXINWLDE-IQBZNYMQSA-N 429.358 4.505 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 708099496 PXMMIDIQOWMRQT-QWHCGFSZSA-N 447.801 4.933 10 10 IJCE Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)c1 1084410930 LEEQMLSZUNNWNP-ZHZULCJRSA-N 446.503 4.544 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1O 1952879935 BROPPRGONMVDOF-UPVQGACJSA-N 447.487 4.756 10 10 IJCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1999536773 OODSLHVUVUTRAY-CDNPAEQRSA-N 427.589 4.512 10 10 IJCE CNCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148926155 ASSPFBCDIDDUIN-PZJWPPBQSA-N 428.418 4.517 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccc(N(C)C)cc2)cc1 2332096492 NTPKRLSOACNHEQ-UHFFFAOYSA-N 429.495 4.730 10 10 IJCE Cc1ccc(CNCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352681861 XIFYAHWHEBTAIK-HNNXBMFYSA-N 427.383 4.590 10 10 IJCE Cc1ccc(CNC(C)(C)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352940827 IUDOLTORKMIRAW-HNNXBMFYSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C3CC3)C2)c(O)c1Br 2381132349 ZXAJNPSOKUGVCX-DLBZAZTESA-N 439.394 4.731 10 10 IJCE Cc1ccc(CN(C)C(=O)CCC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1Br 2381135264 OAXNJERSQOGYKA-AWEZNQCLSA-N 443.382 4.505 10 10 IJCE CCCCN1C(=O)/C(=C2/SC(N(C)c3ccc(Cl)cc3)=NC2=O)c2ccccc21 96594597 ODEYKKYPFUEVLZ-VHEBQXMUSA-N 425.941 4.964 10 10 IJCE CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)sc2c1CCCC2 101350237 PGBFBJWRSSODBZ-AQTBWJFISA-N 439.537 4.531 10 10 IJCE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@@H]1C[C@H]3O 118913537 CXCNNXQZTWDFHG-OJGXVJBCSA-N 433.593 4.767 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1cc(F)ccc1O 233470247 DEMCVJUBQMWXCN-QHCPKHFHSA-N 435.451 4.928 10 10 IJCE C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 248245312 JIGWXFRYCIZDCD-MWTRTKDXSA-N 430.529 4.631 10 10 IJCE OCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c(Br)c1 691899791 WMZYOTISMMGXIJ-UHFFFAOYSA-N 429.402 4.824 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2 715825848 GFQUQIFFANCRNW-GCJKJVERSA-N 433.365 4.686 10 10 IJCE Cc1cc(Br)c(O)c(CNc2ccc(NC(=O)CCN3CCCCC3)cc2)c1 781635976 OMHSQPFUOHINFU-UHFFFAOYSA-N 446.389 4.890 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNCc1cc(Br)cc(F)c1O 1651090963 HCDQHOCPDPDRQN-OAHLLOKOSA-N 431.346 4.563 10 10 IJCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1859478394 UXNVEWYIQZOHLO-UHFFFAOYSA-N 439.356 4.772 10 10 IJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1 1860086749 FGUQVNCOCHTBFG-NTUHNPAUSA-N 449.966 4.550 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(C(F)(F)F)cc1 1860721174 LAUDIHUMDIDJFG-UHFFFAOYSA-N 437.643 4.555 10 10 IJCE CC[C@@H](N[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918991839 LMCRKCZLXJQIGL-AEFFLSMTSA-N 439.394 4.985 10 10 IJCE Cc1ccc([C@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2078993023 XHEGMLLUXPLSNL-KRWDZBQOSA-N 436.293 4.581 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(N)c2I)cc1C 2079970692 WFJIXFCPWNAMQD-QGZVFWFLSA-N 427.330 4.761 10 10 IJCE CCCC1(NCc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2101397875 LLLVYVZMGSWCPB-UHFFFAOYSA-N 427.383 4.814 10 10 IJCE CCC(CC)C1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 2297468971 SIRQTULUHLAVLB-UHFFFAOYSA-N 437.481 4.910 10 10 IJCE COc1ccccc1OCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682437 CJABEWRBHMYWJR-UHFFFAOYSA-N 445.494 4.528 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccc(O[C@H](CC)C(=O)O)c3)SC2=S)cc1 2314930408 CQVQUUVIJHRJBF-GOSISDBHSA-N 443.546 4.733 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccccc2O[C@H](CC)C(=O)O)SC1=S 2314931669 HFPSAFTYAAURPN-QGZVFWFLSA-N 427.547 4.897 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144744 KLYUTDYDOROVHM-UHFFFAOYSA-N 449.850 4.797 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 13639536 MBAJXEBXRJMMAI-JXQFQVJHSA-N 440.565 4.535 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 14474189 ZAWOZOGEWIXLGC-OHUGHZGNSA-N 432.545 4.697 10 10 IJCE COc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3cc(C)ccc3O)C[C@@H]21 20071098 XXRRSQTXBDQUFM-RXFWQSSRSA-N 446.503 4.969 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OCC 206465644 ZTRPSYWYJWGMIM-CPNJWEJPSA-N 449.594 4.561 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226741417 UGPGXVFJGFCGQO-IMWIBFENSA-N 434.536 4.975 10 10 IJCE CN(c1ccc(CNC2CC2)cc1Br)C1CCN(Cc2ccccc2)CC1 312501513 LRHZXFXDZLXPQQ-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE CN1CCC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 742372531 CPHHPRABDOYBHU-CVDCTZTESA-N 428.602 4.819 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc(OC)c1OC 1084405853 UOZQMZKYWBBBRJ-ODLFYWEKSA-N 444.578 4.600 10 10 IJCE CC[C@H](Oc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1)C(=O)O 1614238847 MFSKJYYMCGBXHC-VAARGRSVSA-N 427.547 4.891 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(F)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748763 KEAMFIPPYDCFJA-UHFFFAOYSA-N 440.496 4.843 10 10 IJCE O=C(NOCCCN[C@H]1CCc2cccc(O)c21)OCC1c2ccccc2-c2ccccc21 1937207496 BPEAYOBEXCRTCN-DEOSSOPVSA-N 444.531 4.830 10 10 IJCE O=C(N[C@@]1(c2ccc(Cl)cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952760161 GEQDLSCSLZHPNY-SQJMNOBHSA-N 449.890 4.884 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc(F)cc1O 1952828871 GBFGVNHQBKVBFJ-XUZZJYLKSA-N 447.462 4.928 10 10 IJCE CNCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148926153 ASSPFBCDIDDUIN-CTNGQTDRSA-N 428.418 4.517 10 10 IJCE Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2293512343 JYORWXDFDZEEOM-UHFFFAOYSA-N 448.906 4.568 10 10 IJCE COc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O 2297295825 BQNSIIWSAGDWIQ-UHFFFAOYSA-N 428.373 4.697 10 10 IJCE CC1=CSC2=NC(=O)C(=Cc3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N12 2297317081 OWBCBTZCUADLLT-UHFFFAOYSA-N 442.500 4.585 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(OC)c(Cl)c3)C(=O)N=C2S1 32964173 ASVHISXNILPLPC-SOPDNMILSA-N 441.944 4.949 10 10 IJCE CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 36876031 ZOWNEUSNNFSNFU-RUZDIDTESA-N 449.938 4.788 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1F 687747844 NEARVPMKBCYJCE-VWLOTQADSA-N 435.451 4.760 10 10 IJCE FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 754784170 CWEIRNGJPRLTCH-JPYJTQIMSA-N 434.502 4.800 10 10 IJCE O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1)c1ccccc1 792174327 RYUJFUCWZKHSDI-HNNXBMFYSA-N 428.895 4.540 10 10 IJCE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705873991 BHYBTIBARGBXGQ-HSZRJFAPSA-N 435.616 4.635 10 10 IJCE CCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422729 MFHYXLLMAUFRBE-UHFFFAOYSA-N 429.520 4.623 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3ccc(Br)cc3O)CCCCC[C@@H]12 1967843684 KNDQKXIYPSSBNI-WIYYLYMNSA-N 439.394 4.957 10 10 IJCE CC[C@@H](NC1CC(NC(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1998331055 MTYAPUAWILYWSO-FAFZWHIHSA-N 433.346 4.653 10 10 IJCE CNCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935326 MJQHMOYZFIMWHE-LEWJYISDSA-N 428.418 4.517 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)cc1Br 2151077097 VYMPFBBUFHHMCH-HXOBKFHXSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(NCc3c(O)cccc3Br)cc2C1 2234133519 RVVWUTOXPLNTBW-INIZCTEOSA-N 433.346 4.759 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 2313653096 OTLHZTLPNSOWNC-UHFFFAOYSA-N 442.949 4.629 10 10 IJCE COc1cccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1OC 2313682649 HYRJGUHEHOBRHK-UHFFFAOYSA-N 431.467 4.980 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc34)cc2)cc1 8599348 CBPXXRODGOOPSE-UHFFFAOYSA-N 430.533 4.545 10 10 IJCE C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10963458 SUNVNIXPEMEGRF-CYBMUJFWSA-N 428.469 4.723 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 14471220 RHKMAENALHRCBX-GCKMJXCFSA-N 441.915 4.841 10 10 IJCE COc1ccc(N2CCN(Cn3nc(Nc4ccc(C)cc4)sc3=S)CC2)cc1 69005027 VOGZBSPZDIAUSJ-UHFFFAOYSA-N 427.599 4.514 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 102424223 PTCUUYMSLHMDJC-NKFKGCMQSA-N 434.609 4.634 10 10 IJCE Cc1ccc(-n2nc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)cc2C)c(C)c1 1866287692 PREGEIJMEOEWDG-UHFFFAOYSA-N 438.531 4.583 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNCc2cccc(Br)c2O)CC1 2178642736 WIPOGAATYPQLSM-OYOVHJISSA-N 445.373 4.668 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Br)cc(F)c1O)c1ccccc1 2179679866 RSJMAJCTNFDTDA-QGZVFWFLSA-N 439.325 4.649 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2188888220 VNTYEQXBOFOPFC-REWPJTCUSA-N 428.418 4.658 10 10 IJCE Cc1cc(C=C2NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 2294061169 JIOFJPKCRVKJBL-UHFFFAOYSA-N 436.309 4.954 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(N4CCCCC4)o3)SC2=S)cc1 2296323485 HMZOFHIBAKMIJD-UHFFFAOYSA-N 428.579 4.722 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1cc(C)ccc1C 2297347387 WIJZXJPWXHAZHE-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE Cc1ccc(CNCc2cccc(CNC(=O)OC(C)(C)C)c2)c(O)c1Br 2381144427 YYWGYEWXGXBFTQ-UHFFFAOYSA-N 435.362 4.778 10 10 IJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C[C@H]1CCCO1 2695309 RCZRGXKCCQVRPR-DOAWATSRSA-N 447.585 4.920 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCCC(=O)O 16920125 RKINEOIDHIQJBP-WOJGMQOQSA-N 446.912 4.675 10 10 IJCE N=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 35262769 FTKFXHNQYABKRG-BXODQFHZSA-N 440.322 4.805 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1nccs1 210758325 GVJBNEAFELCSPL-NTCAYCPXSA-N 435.571 4.683 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 226882516 ISBMEVDIAPNSRZ-KHCICDEESA-N 442.581 4.561 10 10 IJCE COCc1ccc(O)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753426 BKJRWONWKALOKC-QHCPKHFHSA-N 447.487 4.593 10 10 IJCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1132264526 VAGNFWIOZOQZCG-AREMUKBSSA-N 429.564 4.555 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677604 SWIGRPAMLLLFAG-HZHRSRAPSA-N 442.515 4.851 10 10 IJCE CCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163963 FPKLVFJMVIETBB-UHFFFAOYSA-N 427.548 4.764 10 10 IJCE CCOCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422945 XMUJRKOLELGHAH-UHFFFAOYSA-N 443.547 4.713 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1984694497 KPVFNELUAMVZJU-ROUUACIJSA-N 447.539 4.853 10 10 IJCE Oc1ccc(C(F)(F)F)cc1Cn1ncc(-c2ccccc2)c1I 2070260913 MAEVGAHPRUXENM-UHFFFAOYSA-N 444.194 4.927 10 10 IJCE CNCc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163317080 HHNYRPFFGKCFGQ-HSZRJFAPSA-N 428.418 4.661 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(F)cc3)C2=O)cc1 2294124648 OILVBQIHJVFTEW-UHFFFAOYSA-N 444.462 4.634 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3ccc(I)o3)SC2=S)c1 2314717792 XDNSRUDYWDBRBJ-UHFFFAOYSA-N 427.288 4.598 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC 2318753408 VCFHDIYNRQBHAX-UHFFFAOYSA-N 442.562 4.848 10 10 IJCE COC(=O)c1c(O)c(/N=N/c2ccc(Cl)c(Cl)c2)c(O)n(-c2ccccc2)c1=O 39140219 IFGOJOCKVKHRLR-GHVJWSGMSA-N 434.235 4.758 10 10 IJCE O=C(/C=C/c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Br)cc1 59782356 JWKBJQSIIUJUEL-MDWZMJQESA-N 438.281 4.999 10 10 IJCE Cc1ccc(-c2cnc(CCC(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)o2)cc1 97012494 POZCSXGWXHMIKG-UHFFFAOYSA-N 429.524 4.532 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 210721191 ZWBWYXXRBCQBLC-XMHGGMMESA-N 444.553 4.845 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)CC12CCC2 706809528 DFCDNYIKVZLCKV-AWEZNQCLSA-N 425.367 4.567 10 10 IJCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])c(C)c4)C3=O)c2c1 1860087896 ZABHNMQXLVVXBE-QGMBQPNBSA-N 425.491 4.799 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)ccc2O)C(F)(F)CC1 2161227009 GOMVOXKQVPDRQI-CQSZACIVSA-N 449.336 4.527 10 10 IJCE O=C1C(=Cc2ccc(I)o2)SC(=S)N1c1ccc(Cl)cc1 2297303490 LZASMOFFLUUQDX-UHFFFAOYSA-N 447.706 4.943 10 10 IJCE CCc1cccc2c(C=C3C(=O)N(C)c4ccccc43)cn(CC(=O)NC3CCCC3)c12 2297318987 IDQPULZIPHGQPW-UHFFFAOYSA-N 427.548 4.780 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OC 2321647229 IUHZTSAJKXBACW-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2341166931 DWXXQYDYJQDETN-SDNTUTLCSA-N 425.367 4.593 10 10 IJCE Cc1ccc(CN[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352952732 PSMWOQPDXKOYHG-GDBMZVCRSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1Br 2380811276 JRVKLZXMIVBADP-QGZVFWFLSA-N 435.362 4.819 10 10 IJCE CCn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc21 8807626 AQNZMHRGXRXXHX-UHFFFAOYSA-N 441.512 4.562 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1 14461916 PXWIPSUJTYSWJM-PPJWLVRDSA-N 444.623 4.747 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)cc1 526552911 RQQSPCWRCGLEBC-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 781913722 RYCIWPDCLHIZAJ-UHFFFAOYSA-N 428.330 4.893 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 1858590481 SKEJWVHINVHFDJ-DYGKOUCMSA-N 441.574 4.587 10 10 IJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)N(C)C)cc1 1858593885 BYTIWOOODACAPY-HDZGYNCQSA-N 448.997 4.558 10 10 IJCE Cc1cccc(OCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1C 1859889220 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CCC1=NN2C(=N)C(=Cc3cccn3CCOc3ccc(C(C)(C)C)cc3)C(=O)N=C2S1 2293426863 HIOPLWMGNUPYEA-UHFFFAOYSA-N 449.580 4.894 10 10 IJCE O=C(C=Cc1ccc(Br)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2295374177 IASFBDKJUIFODF-UHFFFAOYSA-N 432.273 4.876 10 10 IJCE CCC(=O)Oc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 2297365795 BLWLXNBJHRLXEX-UHFFFAOYSA-N 426.472 4.845 10 10 IJCE COc1ccc(C=C2C(=O)N(c3nc4ccccc4s3)N=C2C)cc1Br 2297709337 NMYGZEZXLVKMNE-UHFFFAOYSA-N 428.311 4.874 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N2O1 20236436 YJAQNKOJNJZOKN-POLMPROESA-N 431.492 4.602 10 10 IJCE Cc1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c(C)n1-c1ccccc1 23777849 XRRMTYGBYWARHG-IGQYLQMFSA-N 428.511 4.886 10 10 IJCE O=C(O)CN1C(=O)/C(=C\c2cc(/N=N\c3ccccc3Cl)ccc2O)SC1=S 59514453 HUVMZYWXVFLSDP-BXWHRJQVSA-N 433.898 4.747 10 10 IJCE O=C(O)c1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)ccc1Cl 103785501 SBDJSRJWABHDDB-VCHYOVAHSA-N 440.814 4.530 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(F)c1O 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445.401 4.738 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 1772759363 BMMUCTNDIJPWGX-SLAOVOKISA-N 438.574 4.870 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NCCC2=CCCCC2)sc(C)c1-c1ccccc1 1860759811 IGMRHJXDIONZBP-UHFFFAOYSA-N 440.565 4.845 10 10 IJCE CCc1nc2c(C)cccc2c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866273647 QQEFWNQOWMKFLH-VWLOTQADSA-N 441.579 4.733 10 10 IJCE O=C(NOCCCN[C@@H]1CCc2cccc(O)c21)OCC1c2ccccc2-c2ccccc21 1937207497 BPEAYOBEXCRTCN-XMMPIXPASA-N 444.531 4.830 10 10 IJCE Cc1ccc(O)c([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1952762440 MCDNPAIENNZUBK-ATIYNZHBSA-N 429.472 4.539 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)F)c(C=O)c2I)cc1C 2080052489 ATGFJABDBLAYTQ-HNNXBMFYSA-N 446.235 4.560 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)cc1Br 2151077096 VYMPFBBUFHHMCH-GAJHUEQPSA-N 428.418 4.960 10 10 IJCE CC1(C)CC[C@H](NCc2cccc(Br)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155359101 XHSVXGNPKHAVGE-WBVHZDCISA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccc(Br)c2O)CC12CCC2 2176861640 ZYBNYPFBCKAQSV-OAHLLOKOSA-N 439.394 4.814 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c(Br)c1 2190538896 BFRSKLJNUGQBMV-FAKFISEUSA-N 429.402 4.989 10 10 IJCE CN(C[C@@]1(Oc2ccc(N)cc2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2249695229 MNTKDCHLYURVJT-VWLOTQADSA-N 425.573 4.549 10 10 IJCE Cc1cc(N2CCCC2)ccc1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 2294118730 VJLWOUUSNKLGRQ-UHFFFAOYSA-N 444.318 4.568 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc2c1C(=O)[C@@H]1C=CC=C[C@H]1C2=O 2297511148 BCIIGVGKEFMADL-QZTJIDSGSA-N 443.890 4.796 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC(C)=O 2313507370 ICOGHOPYQBZLFS-UHFFFAOYSA-N 449.937 4.688 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c(O)c1Br 2381132504 BPWRUSNWKPLMDC-ORQFMDKSSA-N 439.394 4.729 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 14473692 BRYDGEOORGKRBH-IPVFLDMMSA-N 446.572 4.740 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 16919503 ARZHDGULUKQXIP-CPNJWEJPSA-N 443.546 4.653 10 10 IJCE CC(C)COC(=O)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 206469931 MEINQXDGDSCBDU-UDWIEESQSA-N 441.574 4.666 10 10 IJCE Cc1ccc(C)n1-c1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)c1 223382301 LLDQUYYQLRTOMN-XMMPIXPASA-N 426.520 4.705 10 10 IJCE CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693527 SSIZXOQORUZRHI-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CC(=O)N(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1312590424 LBYWABBRGXCLMB-QGZVFWFLSA-N 442.991 4.558 10 10 IJCE O=C(SCC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1cc2ccccc2oc1=O 1615946349 DXYJPYZWUCTJFW-UHFFFAOYSA-N 440.476 4.684 10 10 IJCE C[C@H](C[C@H](Cc1ccc(N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1848350667 MFESDYBJHQTVTK-YLJYHZDGSA-N 444.531 4.829 10 10 IJCE Cc1cc(I)ccc1/N=N/N1CCN(C/C=C/c2ccccc2)CC1 1860487199 XZFPYTUUBFVRMX-GSFUGQFOSA-N 446.336 4.929 10 10 IJCE COC(=O)c1c(NC(=O)c2cc3ccc(OC)cc3oc2=O)sc(C)c1-c1ccccc1 1866298122 NNEIUUQECFDMTC-UHFFFAOYSA-N 449.484 4.877 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(C3CC3)C2=O)cc1 1873168355 SBLJXFBRHVCKDN-LJQANCHMSA-N 425.532 4.687 10 10 IJCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1cc(Cl)cc(Br)c1O 2033996541 XBXCFVGEYQBPSI-LLVKDONJSA-N 433.774 4.543 10 10 IJCE CC(C)(C)c1nn(Cc2cccc(F)c2O)c(I)c1C1(C)CC1 2079772907 VSNJCJSCRUZYDC-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE C[C@@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2163335959 UKCQGCZTZRTATR-GOSISDBHSA-N 428.418 4.961 10 10 IJCE CC(C)(C)OC(=O)Nc1ccccc1OCCNCc1cc(Br)ccc1O 2183228679 XGEHIAOTGITMBD-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cccc2Br)C(F)(F)CC1 2269181893 HSDJQKHSNWIJAU-CQSZACIVSA-N 434.325 4.868 10 10 IJCE CC[C@@H](N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271311455 KLULFBJSINEXEC-IAOVAPTHSA-N 427.383 4.983 10 10 IJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 2297307156 JXBGKONVKPCSMC-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1 2297470365 DYPPKJAMPKFRTN-UHFFFAOYSA-N 443.985 4.996 10 10 IJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 2297470462 HBBKZAPRCMEGHU-UHFFFAOYSA-N 437.594 4.986 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OCC 2321647255 RDVVJHVMCWEDRW-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1C1CCN(Cc2ccccc2)CC1 2323879714 YZFBCOCVEKCTRB-UHFFFAOYSA-N 445.591 4.522 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)c1Br 2352673860 YTQQYUVNAXMILU-XJKSGUPXSA-N 427.383 4.588 10 10 IJCE CCCC[C@H](CC(=O)NCc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2380719279 CJLBURNIUVVZRA-OAHLLOKOSA-N 443.382 4.553 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c2C)cc1 27246533 KSLPELRTMZHQQU-FQEVSTJZSA-N 431.536 4.594 10 10 IJCE CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Br)c(C)c2)C(=O)N=C1O 33411545 KQEAJUKUCDOIEK-PTNGSMBKSA-N 429.270 4.663 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2cccs2)c2ccc3cccnc3c2O)c1 54620946 SPNVWVDTVAGZPS-NRFANRHFSA-N 448.500 4.777 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c(C)c1 59861830 AGGHWXXBSZERQE-LDADJPATSA-N 431.404 4.978 10 10 IJCE O=S(=O)(Nc1ncccn1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 206776517 QDAVGOJFJAICIG-UHFFFAOYSA-N 427.489 4.722 10 10 IJCE CC[C@H](N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 690944132 LNVRMUGWSFXFPU-UNEWFSDZSA-N 427.383 4.983 10 10 IJCE CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccc(NC(=O)/C=C/c2ccc(C)nc2)c1 754150142 YCFXFMLGKPTRSS-QUMQEAAQSA-N 426.520 4.812 10 10 IJCE CN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565519653 GKWHEQYDALZUCA-ZHRRBRCNSA-N 445.003 4.727 10 10 IJCE COc1cc(Br)cc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)c1O 1865672247 RXKIAHOVOYGARS-OVCLIPMQSA-N 435.705 4.618 10 10 IJCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865672768 KUIMROXAOQBSCI-NTUHNPAUSA-N 444.167 4.955 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc(OC)c1O 1865680057 VDGZZJJKYRZZJY-NDENLUEZSA-N 448.906 4.893 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)C2=O)cc1 1872957129 XBDLWRUAKQTJOT-UHFFFAOYSA-N 437.293 4.699 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3cc(Cl)cc(Br)c3O)[C@H]2C1 1962829626 GYQYJVOCHISRBH-HZUKXOBISA-N 445.785 4.543 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccc(-c2ccc(F)cc2)o1 2296340322 OFXXRZQGQNDYMI-UHFFFAOYSA-N 433.508 4.878 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2314650672 VRJHLEKNZMRGDA-VIFPVBQESA-N 427.425 4.640 10 10 IJCE O=C(O)c1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2321708980 HVDVYCFCNZPBMU-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2354682766 ZFNCTYKRCMYPFI-WIHIRCLASA-N 439.394 4.887 10 10 IJCE Cc1ccc(CNC[C@]2(NC(=O)OC(C)(C)C)CCC[C@H]3C[C@H]32)c(O)c1Br 2380810091 UEIOLNFQYMTTKZ-CMPZQBNXSA-N 439.394 4.636 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C)cc4)n4c3CCCCC4)CC2)cc1 9406739 JIQQSAZULPXLAH-UHFFFAOYSA-N 444.579 4.556 10 10 IJCE CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(C(=O)OC)=C1C 33315567 HVJPPOGVQJQDKV-YBFXNURJSA-N 443.341 4.549 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C/c1ccccc1O 206365768 ULKPFAKZBRSSCA-RXULLKCLSA-N 441.512 4.919 10 10 IJCE Cc1ccc2nc3c(c(C(=O)N(C)Cc4ccc(N5CCOCC5)cc4)c2c1)CCCC3 248018037 DMLAMJGONVIZGJ-UHFFFAOYSA-N 429.564 4.531 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(OCCNCc2ccc(Br)cc2O)cc1 691394881 HNQRPXWBXNZCRO-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)cc1 729110600 PMGCSCDNDOYAGF-UHFFFAOYSA-N 426.441 4.539 10 10 IJCE CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(O)ccc2cc(Br)ccc12 749774341 MBHGKFAZYYTUMU-UHFFFAOYSA-N 428.252 4.692 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 781635363 HKGBGWSCYRNKCG-ZHRRBRCNSA-N 434.374 4.878 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1OC 1084037604 VROUMATUPUAHAI-LDADJPATSA-N 430.507 4.798 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)ccc3c2=O)sc(C)c1-c1ccccc1 1866418894 FIUSIEXUJNYUMD-UHFFFAOYSA-N 448.500 4.613 10 10 IJCE C[C@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 2042391249 OCLPWECFWBDLKY-NWDGAFQWSA-N 433.774 4.543 10 10 IJCE C[C@@H]1CN(c2ccc(CNC3CC3)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152157036 AVGCVDAPHSKMFP-QZTJIDSGSA-N 428.418 4.800 10 10 IJCE CCN(CC)CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br 2152218948 RHYVSHGKGSIPEJ-UHFFFAOYSA-N 431.374 4.895 10 10 IJCE C[C@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163333784 JMCNIGGXWQXTCM-SFHVURJKSA-N 428.418 4.961 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1C 2293497328 ZYIUSLVEAWZFSQ-UHFFFAOYSA-N 435.954 4.604 10 10 IJCE CCCOc1ccc(Br)cc1C=C1C(=O)N(c2ccc(C(=O)O)cc2)N=C1C 2297365417 XTRCZEARULAHHS-UHFFFAOYSA-N 443.297 4.742 10 10 IJCE CCOc1cc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc(Cl)c1O 2297559733 DPFMJGRATHCDPS-UHFFFAOYSA-N 435.954 4.854 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c(O)c1Br 2380810302 FYJNFJARFGNSLY-XIRDDKMYSA-N 439.394 4.731 10 10 IJCE CN(C)c1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 9674138 YQZZWQCCSOYDEX-UHFFFAOYSA-N 435.578 4.997 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 210697540 HWYBPVAQDGIHBQ-XMHGGMMESA-N 440.590 4.920 10 10 IJCE O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@@H]21 226794696 GKLAUDIIQMPJSJ-RNHFSVANSA-N 426.516 4.897 10 10 IJCE CCCCN(C)C[C@@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 229384017 IFSFJGUUHNSKEH-TXUMJUCDSA-N 444.579 4.540 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(Cl)ccc1OC 745633457 OHMSGLKFQVLIJM-UHFFFAOYSA-N 427.726 4.548 10 10 IJCE Brc1ccc2nc(CNCc3ccc(N4CCSCC4)cc3)sc2c1 774973671 BZEFCQPQMJYOCQ-UHFFFAOYSA-N 434.428 4.902 10 10 IJCE CCCCN(CC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867967281 LKVMEGYWSJTQIJ-UHFFFAOYSA-N 425.621 4.736 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 1912306044 DWXXQYDYJQDETN-YVVXQTMVSA-N 425.367 4.593 10 10 IJCE CCCC1(NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2070574143 ZSWUBXLCBGTLJI-UHFFFAOYSA-N 433.774 4.687 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079037130 DEYGCSQHLFFVKL-OAHLLOKOSA-N 427.330 4.627 10 10 IJCE CN(CC[C@@H](NCc1cc(Br)ccc1O)C(C)(C)C)C(=O)OC(C)(C)C 2278582370 CPVVVSTZNHWXHO-QGZVFWFLSA-N 429.399 4.916 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2293202005 IFHPYKZOWCTJPW-UHFFFAOYSA-N 447.922 4.976 10 10 IJCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1Cl 2297314547 FPZZBLJBIHHNID-UHFFFAOYSA-N 439.924 4.883 10 10 IJCE CN(Cc1ccccc1)C(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297554753 YNBATWRMPHVWPG-UHFFFAOYSA-N 430.982 4.590 10 10 IJCE CC(=O)c1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2321585695 ARJUPSCYZWJARM-UHFFFAOYSA-N 433.967 4.966 10 10 IJCE CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 15010442 QRRUQWCNLYEORX-UYRXBGFRSA-N 436.920 4.723 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNCCc1ccc(Br)s1 708176043 CDQWIBUWRNXWAD-UHFFFAOYSA-N 425.573 4.964 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)C1CC1 1293703721 QDEHFHAOZKNVBD-UHFFFAOYSA-N 443.547 4.599 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1O 1473836859 IYIMKXZLUJAURU-HXUWFJFHSA-N 434.552 4.783 10 10 IJCE Cc1cc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 1626530448 AWEVICMZOADYDD-IBGZPJMESA-N 425.916 4.598 10 10 IJCE C/C(=C\C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1OC(F)F 1631607919 JXJMEJRYUOFKIP-BKBDBRRMSA-N 444.522 4.965 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1scnc1C 1705480063 QTMVEEMYQFNDRF-KRWDZBQOSA-N 444.608 4.818 10 10 IJCE O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(I)cc1 1860074789 NJSYXVSRQNEVGE-NTEUORMPSA-N 441.290 4.836 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)C(C)(C)c2ccc(Cl)cc2Cl)c2nccn2C)cc1 1866225755 ONSNIPYLVHVWJY-FQEVSTJZSA-N 445.394 4.976 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166592 DLXSYVXDBWYVOV-UHFFFAOYSA-N 445.538 4.759 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C(C)C)c1Br 2079037232 FVKGISKRRLTXTE-ZDUSSCGKSA-N 435.240 4.710 10 10 IJCE CNCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)cc1Br 2166608071 BPLHXYCDXKKBHQ-UNMCSNQZSA-N 428.418 4.802 10 10 IJCE Brc1cc(N2CCCN(Cc3ccccc3)CC2)ccc1CNC1CCC1 2240037898 NLYYXUXSNBZGMP-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 2296397872 DFCHLBOJKGJLRH-UHFFFAOYSA-N 427.504 4.631 10 10 IJCE CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 2297470110 BLBPMTHDRYZYKC-UHFFFAOYSA-N 435.553 4.912 10 10 IJCE CCCCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCOCC2)SC1=S 2314648324 WBEWBWAMZMLELF-UHFFFAOYSA-N 441.622 4.853 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c(OC)c1 2321647223 HATFBTWIYXLPDI-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 2323882473 YYRHTUUMJGABRI-OAQYLSRUSA-N 437.634 4.791 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 14471317 XXIHIYARXAXGGF-JKSBSHDWSA-N 439.899 4.547 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2cc(Cl)cc(Br)c2O)CCCC1 708132775 GBJCFWUHEMQACI-UHFFFAOYSA-N 433.774 4.735 10 10 IJCE COc1cccc2[nH]cc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c12 779405272 UQSJRMZQGFLGFN-UHFFFAOYSA-N 446.551 4.790 10 10 IJCE CC[C@@H]1CCc2nc(O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2C1 1290758263 XXRJDAVZKDOSLN-GOSISDBHSA-N 433.552 4.804 10 10 IJCE Cc1c(Cl)cccc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1657043340 QNHCAXHOQITVKK-UHFFFAOYSA-N 432.145 4.888 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1858586764 SNQHDYYNNTZJJQ-GZTJUZNOSA-N 434.926 4.701 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OCC 1860085746 XKQGKDDYVXWOET-UDWIEESQSA-N 445.562 4.907 10 10 IJCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)C1=O 1865667238 MHLZLJORZDAPJZ-NKFKGCMQSA-N 426.516 4.967 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Br)c(O)c(OCC)c1 1865667403 VDOLGHVGEBIJBV-GXDHUFHOSA-N 430.302 4.535 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675732 XHWSMJSLDJMXJB-BUVRLJJBSA-N 440.499 4.840 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1984694498 KPVFNELUAMVZJU-ZWKOTPCHSA-N 447.539 4.853 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)c(O)c1 2079026279 YUSLWTDXTLHOGZ-MRXNPFEDSA-N 437.325 4.525 10 10 IJCE CN[C@@H](C)c1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c(Br)c1 2234703566 TXJSCCDEUHZETF-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1150831 JIJCXQVXVDNJTH-UYRXBGFRSA-N 437.502 4.800 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 35638317 MBWXHQDAMBGBNV-LTGZKZEYSA-N 438.618 4.889 10 10 IJCE CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 65297994 FDYKZZGHTMXWHR-IBGZPJMESA-N 448.792 4.754 10 10 IJCE biogenic Cc1nc(COc2cccc(C(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)c2)cs1 96982869 XVXXBXHKPQTVTC-UHFFFAOYSA-N 447.564 4.594 10 10 IJCE CCCN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 380578942 JDMQCRIDZOUMRI-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE Cc1ccc(F)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687755882 FKZYTYOOTVHXBV-NRFANRHFSA-N 435.451 4.894 10 10 IJCE COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)c1 734073431 MOSBRNOAXVFSRL-UHFFFAOYSA-N 445.302 4.630 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c1O 1641943242 XDNFWPKDTLXRLY-UHFFFAOYSA-N 436.980 4.860 10 10 IJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1OCC 1858588894 AEZCYQFXUQCIDW-XSFVSMFZSA-N 429.563 4.634 10 10 IJCE CCc1cccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)c1 1872847028 FRLLEHMYNVADJK-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE O=C(Cc1ccc(Cl)cc1Br)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891199944 YSHMDKBSCHECTN-KXBFYZLASA-N 433.777 4.950 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccccc1O 1952863396 VLKQJHWVIXBERM-QPPBQGQZSA-N 429.472 4.789 10 10 IJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044756097 HSXLPTBQCKALNA-DNQXCXABSA-N 439.600 4.657 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2186721056 LWPNKOFPNWSSQY-KUHUBIRLSA-N 442.323 4.722 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2314735760 BHJODWMFFOENDP-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468798 OFUVREVPJWMZBX-BSRJHKFKSA-N 434.536 4.975 10 10 IJCE CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469135 XRCZNYLOLYGZOV-JTFSCDOYSA-N 434.536 4.975 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356431 WDXANSNYASTSNK-PQYAFMCBSA-N 439.928 4.663 10 10 IJCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)c2ccccn2)cc1 40318079 KCFUKLHLMDCKJT-FQEVSTJZSA-N 446.378 4.901 10 10 IJCE CN(C)c1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 97012551 WFJYOHSIJYELIG-UHFFFAOYSA-N 449.942 4.877 10 10 IJCE COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)/C=C\c2ccccc2)cc1OC 102651406 XXGIBAITAVWFPK-QKWZMAAQSA-N 428.488 4.801 10 10 IJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226794087 BQXCCFYSGICHHY-RNHFSVANSA-N 448.544 4.749 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526401769 DBLMSBHSNHQUKT-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 781914633 VMLNLYIWNAQCJD-KRWDZBQOSA-N 428.273 4.638 10 10 IJCE O=C1/C(=C\c2ccc(OC(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 1084361171 OSJPCLNPSZBFLO-RIYZIHGNSA-N 426.397 4.899 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)c1 1859095536 DYBZNZIQLPINPF-NTCAYCPXSA-N 430.464 4.565 10 10 IJCE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccccc1 1865872283 TVIJBPSTJWVHIJ-UHFFFAOYSA-N 442.924 4.532 10 10 IJCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 1965955709 ANFQCAQENRCKPS-XHDPSFHLSA-N 433.774 4.543 10 10 IJCE CCCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3)o2)SC1=S 2040479861 BKQPGTLVQABRKZ-INIZCTEOSA-N 431.535 4.800 10 10 IJCE Cc1c(C(C)(C)C)nn(Cc2cc(Br)ccc2O)c1I 2079817383 DDYOMFBJHGNQRY-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNC[C@]12CC[C@H]1CN(Cc1ccccc1)C2 2136550214 SAXZGZPTGFJIIQ-UWJYYQICSA-N 435.793 4.810 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC[C@@H](C)COc1ccccc1 2293628342 SKPPWZMHSUYYSZ-ZDUSSCGKSA-N 449.981 4.931 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1F 2297349312 ZHBLJKPPGNKLKL-UHFFFAOYSA-N 447.553 4.651 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc(OC)c1OC 2332114880 AYFTYHJARAPXLX-UHFFFAOYSA-N 435.307 4.821 10 10 IJCE COc1ccc(N2CCN(c3nc(NCCc4cccs4)c4ccccc4n3)CC2)cc1 96194654 JOAMDVBPXNLQKY-UHFFFAOYSA-N 445.592 4.681 10 10 IJCE O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc(F)c1 103354818 XPKJESXWDKLQBV-PJQLUOCWSA-N 438.299 4.723 10 10 IJCE CN(C)c1ccc(CN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)C2CC2)cc1 1625318923 QWRBSLHRZKOAGS-UHFFFAOYSA-N 429.442 4.830 10 10 IJCE Cc1sc(Br)nc1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2052550971 ZMRZFKBTRMJVFT-UHFFFAOYSA-N 426.380 4.875 10 10 IJCE CC1(C)C[C@@H](CNCc2ccc(Br)cc2O)CN(C(=O)OC(C)(C)C)C1 2115929887 YSBLFAFXSZHWDL-AWEZNQCLSA-N 427.383 4.528 10 10 IJCE NCc1cc(F)c(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163306465 MZPGJHRFBQAEEK-JOCHJYFZSA-N 432.381 4.539 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc2c(c1)OCCO2 2332127405 VKKUMESVPHGMDU-UHFFFAOYSA-N 427.298 4.807 10 10 IJCE CCCCC(=O)Nc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)oc2ccccc12 20900490 OEXRYWXXTRMMKP-UHFFFAOYSA-N 435.524 4.533 10 10 IJCE N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 96458279 FDDYQNONOQADPL-UGGGCEITSA-N 431.304 4.561 10 10 IJCE CCn1cc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21 96498524 MHFPQOBQYXLBGA-LTGZKZEYSA-N 425.488 4.614 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)SC2=S)ccc1O 103040566 KCPQUBGNXBVVAK-VCHYOVAHSA-N 441.461 4.895 10 10 IJCE Cc1cc2c(n1-c1cc(I)ccc1Br)CCC[C@H]2O 311577439 SLTBRLFNPWQIEN-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252772 MYTZKVOREOBPDD-UHFFFAOYSA-N 433.529 4.585 10 10 IJCE Cc1cc(F)cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687754953 CLFRJSNQGMWYHY-JOCHJYFZSA-N 435.451 4.894 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC)c1cc(Br)ccc1O 707487826 KFYMKBADNKVEEG-ULQDDVLXSA-N 427.383 4.983 10 10 IJCE CN1CCC[C@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H]1c1cccs1 745849077 QMZVZSZSXDWNEH-JPYJTQIMSA-N 439.581 4.842 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCOc3c(Cl)cc(Br)cc3C2)c1O 1560207908 RPSBFTUMBJYOPW-UHFFFAOYSA-N 428.685 4.544 10 10 IJCE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)c(C)c1 1858688418 YCOBOQUAHHIJRD-QGZVFWFLSA-N 434.496 4.606 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O 1860075060 GQEACWGQHAPMTB-VIZOYTHASA-N 436.898 4.677 10 10 IJCE Cc1ccc(O)c([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1952762442 MCDNPAIENNZUBK-GJZUVCINSA-N 429.472 4.539 10 10 IJCE CN[C@@H]1C(=O)Nc2cc(N(CCC(F)(F)F)Cc3ccccc3)c(Br)cc21 2152206526 LZUGMDURIDVBDE-KRWDZBQOSA-N 442.279 4.621 10 10 IJCE Oc1cccc(Br)c1CNc1cc(Br)cnc1Br 2221587766 WXGCZVSKSVNIKZ-UHFFFAOYSA-N 436.929 4.687 10 10 IJCE Cc1ccc(I)c(NCc2cc(Br)cc(F)c2O)c1 2231939178 FKXVTTDYVSHHHN-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641831 GUNDFKAFJXMUNN-XLNZFTOWSA-N 434.536 4.775 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 33296810 HFALODXCRSOKPJ-HAHDFKILSA-N 442.519 4.975 10 10 IJCE CC[C@@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 381869985 QMSXBUOPEIWVSD-RHSMWYFYSA-N 427.383 4.843 10 10 IJCE Cc1cc(CCNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c(C)n1-c1ccccc1 741665425 LPUSYKCTPKIUGC-UHFFFAOYSA-N 431.580 4.681 10 10 IJCE Brc1cc(CNCC2CCN(c3ccncc3)CC2)ccc1N1CCCCC1 1461381770 PTOWBUWCORWQQW-UHFFFAOYSA-N 443.433 4.841 10 10 IJCE CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1624670871 OLSAWRRNACQDGS-QFIPXVFZSA-N 439.353 4.787 10 10 IJCE O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180878 WIEPSBNMZFLXGM-NRFANRHFSA-N 426.497 4.943 10 10 IJCE Cc1cc(Br)ccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 1891335077 YPDBPBFMWUPKQT-UHFFFAOYSA-N 427.320 4.821 10 10 IJCE CN(c1ccc(CNC2CCC2)cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 2240088175 OGGFHECJZYXUDM-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(C(=O)O)cc3)N=C2c2ccccc2F)cc1 2297507684 OZXLIUJNRJFLID-UHFFFAOYSA-N 430.435 4.757 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)ccc1OC 2321663942 VJZFVTOYXLJDBQ-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE Cc1ccc(CN2C[C@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)c(O)c1Br 2327801481 SBRMNPOHCPTXOA-CALCHBBNSA-N 447.373 4.695 10 10 IJCE O=C1C(=Cc2ccc(O)cc2O)C(c2ccccc2)=NN1c1ccc(Br)cc1 2332096095 SGNDQABCJQYEMK-UHFFFAOYSA-N 435.277 4.695 10 10 IJCE Cc1ccc(CN[C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352947294 RCMVYLOLUXLAJD-GDBMZVCRSA-N 427.383 4.731 10 10 IJCE CC[C@@H](NC[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2358211611 GHPFHVNHMGJXRO-AETAKHFUSA-N 439.394 4.841 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cc(Br)ccc2O)C[C@H]2CCCC[C@H]21 2358977777 NGLREDKWUOZWSY-ZTFGCOKTSA-N 439.394 4.813 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cc(C)cc(C)c2)c2ccccn2)cc1 54120888 XZAVODCXQYUAFE-VWLOTQADSA-N 433.596 4.991 10 10 IJCE CCOc1cc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)ccc1OCCC(=O)O 210469017 MJQUFSYMKSZKCB-MOSHPQCFSA-N 440.521 4.638 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2)N1CCc2ccccc21 226903574 VYRBZYVFBMFQBQ-TYBLODHISA-N 429.545 4.660 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cccc(NC(=O)NC)c2)sc(C)c1-c1ccccc1 586643532 KPXAJTSCHDWKOQ-UHFFFAOYSA-N 437.521 4.904 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 705967989 PGTWHLZGSVPIRI-VSDWSMLSSA-N 428.418 4.817 10 10 IJCE CCN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1cc(Br)ccc1O 782479239 OLGGVKYZKBOZQO-UHFFFAOYSA-N 445.313 4.618 10 10 IJCE CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 784061896 GQZTVCMBBGENNI-UHFFFAOYSA-N 437.540 4.529 10 10 IJCE CC(=O)N1CC[C@@](C)(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)C1 1124275818 AWFCZDCQBYVPAN-XMMPIXPASA-N 436.581 4.723 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)C(C)(C)C 1705605355 INOFYWXPRCFKES-HSZRJFAPSA-N 433.600 4.873 10 10 IJCE O=C(Oc1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1)c1ccccc1 1865676243 YHVJGVNLTKTVFC-JXAWBTAJSA-N 437.377 4.649 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2027283299 IQSCXTFVWXZNBF-ABAIWWIYSA-N 433.774 4.591 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNCc2cccc(Br)c2O)C1 2093954221 RQCVDADVSGPJEB-HNNXBMFYSA-N 427.383 4.528 10 10 IJCE CCCN[C@H](c1ccccc1O)c1cc(I)ccc1Br 2146247973 FDABIDTYVMEWRO-MRXNPFEDSA-N 446.126 4.848 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163262374 QLEXLVXRKGCIRC-JPYJTQIMSA-N 429.402 4.995 10 10 IJCE CCOc1ccc(CCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1OCC 2323770212 MWHVYSYXMWKJPW-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c(O)c1Br 2380803278 DKWXSGLUZPXMEG-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)cc1 13891861 GBACAWFKXHNAAV-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3Br)C2=O)cc1 59371426 VUMUWIBAPRQRLN-GZTJUZNOSA-N 448.411 4.786 10 10 IJCE O=C1[C@@H](CN2CCCCC2)SC(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 59397325 BYABZMQZQWYRSP-CYBMUJFWSA-N 442.450 4.943 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 206470355 BJQCQWJXPVHYCY-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CC1(C)C[C@H](NCc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)C1 699992739 NLYUFSAQSXVRSE-CQSZACIVSA-N 427.383 4.670 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(/C=C/C(=O)O)cc2Br)CC1 717620714 NGRDOAQKUCTLBP-CSKARUKUSA-N 429.358 4.648 10 10 IJCE Cc1nc(-c2ccc(CNC(=O)NCc3cccc(Br)c3O)s2)cs1 765453505 LSTPHTKVBHCPIX-UHFFFAOYSA-N 438.372 4.648 10 10 IJCE CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084511098 YDLITDBBOCFHDX-JWGURIENSA-N 427.504 4.665 10 10 IJCE CC(C)n1c(O)nc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc21 1141518755 RFEMKWIFUSYODI-UHFFFAOYSA-N 432.524 4.824 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CNCc3cc(Br)cc(F)c3O)CCC[C@@H]12 1474699146 FESWIUONSBKAJI-OXQOHEQNSA-N 443.357 4.563 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934044 XACNKJSXZNUAMJ-NIFLVVHWSA-N 425.504 4.796 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251801 COSBOMVJDHKPHN-LYHRCORUSA-N 429.402 4.993 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCCNC1CCCCC1 2293188288 LUYNGPPKPWOVKX-UHFFFAOYSA-N 425.602 4.585 10 10 IJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S 2296700256 QNULAPHWXKJEPY-UHFFFAOYSA-N 427.547 4.916 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1 2297334866 SGTCGIPUSZNWRO-UHFFFAOYSA-N 439.587 4.699 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314832000 XLPJLJLJTFZUNO-UHFFFAOYSA-N 426.563 4.705 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(C3CCCCCC3)C2=O)cc1 2323740125 WATSXNZYQIQXOA-UHFFFAOYSA-N 446.638 4.858 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2[C@H]2C=CC[C@@H]21 14545742 ONEHYVRXEXBBEG-OETAKHSWSA-N 426.582 4.989 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccccc2)SC1=S 15046548 ICRRPUCNDIXCIH-KPENOIPVSA-N 436.480 4.934 10 10 IJCE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccc(F)cc1 34988799 YLSXVXAUHXTFDB-UHFFFAOYSA-N 427.273 4.870 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(C)C 206706514 LXTWQSJBFVOGBD-QGOAFFKASA-N 437.583 4.719 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccc(C(F)(F)F)c1 210673333 WZJDBUPDJRKZMB-OVCLIPMQSA-N 440.443 4.684 10 10 IJCE CC[C@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 382062603 GKEKBXGBGMLKJJ-WBVHZDCISA-N 427.383 4.985 10 10 IJCE COc1ccc(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC 745781483 QNTXKMJDLONBCL-UHFFFAOYSA-N 426.557 4.887 10 10 IJCE CC1CCN(S(=O)(=O)c2ccc(N=Nc3cc(Br)ccc3O)cc2)CC1 1084501117 OKBZAYQITDGEIM-UHFFFAOYSA-N 438.347 4.991 10 10 IJCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nc(O)c2ccccc2n1 1466399755 WBNXGQHWJBDWOH-SFHVURJKSA-N 427.504 4.764 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 1857991977 LRQLYPFZCQAOAT-UHFFFAOYSA-N 439.968 4.983 10 10 IJCE CCc1cccc(C)c1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860658431 UYOLEUNJIJYLGQ-UHFFFAOYSA-N 425.754 4.797 10 10 IJCE Cc1cccc(-n2nc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)cc2C)c1C 1866284387 APMJKHVUDYZHHJ-UHFFFAOYSA-N 438.531 4.583 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cc(C)cc(C)c4)c3)CC2)cc1 1872846843 VLZBIKNEFOKHEJ-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNCc2cc(Cl)cc(Br)c2O)CC1 2101512862 BUVGDOKQEIXXQC-JNSHFYNHSA-N 447.801 4.981 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc(Br)cc2O)CC1(C)C 2115821346 VMSBNZZOKDYLNH-CQSZACIVSA-N 427.383 4.670 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2O)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 2332124774 OIMFOHUGRKWULM-UHFFFAOYSA-N 443.194 4.638 10 10 IJCE CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469271 GXYALKQQGPNYBZ-LJZUKVSMSA-N 434.536 4.975 10 10 IJCE O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)NCc1ccccc1 15037139 BUDRXONUJXYFRC-DHDCSXOGSA-N 437.373 4.511 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 15038847 RFCGRSOJQOARNQ-QINSGFPZSA-N 431.608 4.671 10 10 IJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15045985 YICJNEDPSCAJHE-HJPCULJESA-N 432.954 4.582 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc1Br 59861403 WQASXKXRLLEDIE-QPEQYQDCSA-N 435.661 4.618 10 10 IJCE Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCCC(C)C)cc3)SC2=S)cc1 206928670 UTBIOLSDWDERNP-ZHZULCJRSA-N 440.590 4.966 10 10 IJCE Oc1c(F)cc(Br)cc1CNc1cccc(F)c1I 715737348 LZVPFRXFDMPWTF-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cc(Br)cc(Br)c1O 1952075140 NHXQTONSWKJBLX-ZDUSSCGKSA-N 449.139 4.558 10 10 IJCE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079027724 YPGBSHYWSHDGBJ-INIZCTEOSA-N 438.309 4.611 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@]1(Br)CC1(F)F 2137775618 XVOAAVJUTGCNGJ-SFHVURJKSA-N 431.321 4.637 10 10 IJCE C[C@H](NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)c1ccccc1O 2192610773 FWZZSANLFVPYGH-LBPRGKRZSA-N 435.318 4.993 10 10 IJCE CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2294092697 MXKFVVAUJDGKLK-AWEZNQCLSA-N 442.899 4.501 10 10 IJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)ccc1Br 2294288638 PKLPIRIZQONDCC-UHFFFAOYSA-N 441.325 4.721 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 2323681324 OMMXZRKGRVCHJB-SDADXPQNSA-N 433.595 4.738 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C1=O)cn2C 2323789877 DIOAXMCNGMNURM-UHFFFAOYSA-N 443.638 4.697 10 10 IJCE Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(C)C)c(O)c1Br 2352678607 FWFWFLCEZLPGQW-GOEBONIOSA-N 429.399 4.738 10 10 IJCE Cc1ccc(CNC2CCCN(C(=O)OC(C)(C)C)CCC2)c(O)c1Br 2352686555 BWHFOCHCBVWRPH-UHFFFAOYSA-N 427.383 4.732 10 10 IJCE Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1Br 2380789816 MORKFHTUBXBRIL-KRWDZBQOSA-N 443.307 4.712 10 10 IJCE COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 9526957 XUWNSCOIFCRZBP-DEOSSOPVSA-N 449.982 4.948 10 10 IJCE COc1ccc(NC2=NC(=O)/C(=C(\C)c3ccc(Br)cc3)S2)c(OC)c1 39870316 GYSYCXCYDHBBNA-BOPFTXTBSA-N 433.327 4.939 10 10 IJCE C/C(=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O)c1ccc(Br)cc1 39870359 KENIESPASVVNRY-CYVLTUHYSA-N 442.382 4.632 10 10 IJCE O=C(c1ccc(O)cc1)N1CCN(c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 254612451 HMMNPDHRMZUYMZ-UHFFFAOYSA-N 431.452 4.678 10 10 IJCE CCOC(=O)c1c(NC(=O)CN[C@H](C)c2nc(C)cs2)sc(C)c1-c1ccccc1 754720613 MHJFFPWWLRYOMI-CQSZACIVSA-N 443.594 4.954 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 1219892241 AGNFFJUBHNFMLO-KRWDZBQOSA-N 447.329 4.570 10 10 IJCE CC(=O)N[C@](C)(C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)C(C)C 1654253345 PYIJQNMYDLTTRN-OFNKIYASSA-N 449.517 4.849 10 10 IJCE CN[C@H](c1ccccc1O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430203 XDICLMGGYKMWSB-IEBWSBKVSA-N 435.362 4.551 10 10 IJCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccccc3CC)c2C)C1=O 2294118763 ZUDCCUWEPMYATG-UHFFFAOYSA-N 441.531 4.885 10 10 IJCE COc1ccc(C=C2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1Br 2297296519 SVNBGXYIAQXEDV-UHFFFAOYSA-N 449.688 4.615 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c(O)c1Br 2352685197 VLODPISQDGHPPN-QRWLVFNGSA-N 427.383 4.636 10 10 IJCE Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Cl)c2-c2ccc(Cl)cc2)cc1 11730776 DWPFEFGUQYYNQK-UHFFFAOYSA-N 445.331 4.656 10 10 IJCE O=C(O)CCOc1ccccc1/C=C1/SC(Nc2ccc(Cl)cc2Cl)=NC1=O 16911815 SQRJYXGHGFQYBF-CXUHLZMHSA-N 437.304 4.929 10 10 IJCE COc1ccc(N2CCN(C(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)CC2)cc1 20465920 YIHCXBCJNMABRK-UHFFFAOYSA-N 446.576 4.675 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=S)N=C2O)c(OC)c1 33333292 RYQPHUOEZZAHEJ-UYRXBGFRSA-N 437.565 4.830 10 10 IJCE Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(OCCC(C)C)cc2)SC1=S 206935953 ZFNYCXBSPQJXQX-ZHZULCJRSA-N 440.590 4.966 10 10 IJCE CC[C@H](N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 311299809 DZDSFELHFJNCDS-JQFCIGGWSA-N 427.383 4.889 10 10 IJCE CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cc2cc(O)c(O)cc2s1 1540585987 DIFKQCBNYFGYKG-UHFFFAOYSA-N 443.912 4.667 10 10 IJCE COC(=O)c1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1 1865675685 VGIIESQPBWQSAY-JCMHNJIXSA-N 430.891 4.957 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1865678297 DQUXLPKSUFPKLD-GZTJUZNOSA-N 428.916 4.948 10 10 IJCE CCCNC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1871343121 KTFKERMWSRVMKV-UHFFFAOYSA-N 447.409 4.874 10 10 IJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951861592 SQMJOSJCJANXDZ-HSZRJFAPSA-N 447.487 4.788 10 10 IJCE CCCNCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1Br 2160687216 ZHTHAERMVSTAOJ-UGKGYDQZSA-N 428.418 4.659 10 10 IJCE CC[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2)c1cc(Br)ccc1O 2279110893 HJCDRHPVDDXDRE-AEFFLSMTSA-N 439.394 4.985 10 10 IJCE CCCCOC(=O)CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S 2314741375 YAXXOEFPHMDECO-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE CCCOC(=O)CCCN1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=S 2314761069 OUUQEROUKGMXQR-UHFFFAOYSA-N 429.563 4.783 10 10 IJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1OCC 2318683473 DEVVHSYXPRBMFQ-UHFFFAOYSA-N 429.563 4.634 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2329451089 ZDKVHFUZXIKPMC-DETPVDSQSA-N 445.785 4.543 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)ccc1O 2332094902 SZIFGYYIGBXXJY-UHFFFAOYSA-N 442.515 4.938 10 10 IJCE CCCOc1c(C=C2C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cccc1OC 2332118344 AKFMRXQZAWEMSP-UHFFFAOYSA-N 443.503 4.722 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1Br 2380812340 UPKFFLRIRNONKE-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137554 IWCNFMPWPUCMOR-QHCPKHFHSA-N 442.003 4.688 10 10 IJCE COc1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(OC)c(OC)c2)c1 27522192 JSYFYESSMYMZKG-RCCKNPSSSA-N 444.487 4.556 10 10 IJCE CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=S)N=C1O 59198624 LRXKYRJXGNXOIG-RVDMUPIBSA-N 431.311 4.519 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526343758 PJCKDCFTGZEPQS-DEOSSOPVSA-N 447.487 4.951 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)nc2ccc(Br)cc12 737493343 PLRIDMZULCHKKQ-UHFFFAOYSA-N 442.357 4.820 10 10 IJCE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 745649781 XUHNAXQXKBJXLS-JTSKRJEESA-N 429.536 4.501 10 10 IJCE O=C(NCc1cccc(COc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 918131331 GWYCQIIZLBXIFH-VWLOTQADSA-N 446.547 4.862 10 10 IJCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 1537578618 LXFZGGCTWCTKMD-AREMUKBSSA-N 435.612 4.666 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)ccc1OC 1860084434 YBPUVQWVMBGPRM-VCHYOVAHSA-N 430.507 4.716 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)c2c(Cl)cc(Cl)cc2Cl)c2nccn2C)cc1 1865990693 VZXFFXHRJLHSKU-SFHVURJKSA-N 437.758 4.966 10 10 IJCE CCc1ccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1872848020 IOEALALJYRDEKT-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE O=C(CC1(n2cccc2)CCSCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179445 FCJRPXVKDJLXOZ-UHFFFAOYSA-N 430.529 4.515 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(Br)c1 2186719392 DIQAFUGQVGITJM-IFXJQAMLSA-N 442.323 4.722 10 10 IJCE Cc1cccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 2243928221 FACPBFBNUDCKIU-UHFFFAOYSA-N 444.531 4.634 10 10 IJCE N=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 2293345704 GILAWEGZRHETSF-UHFFFAOYSA-N 443.444 4.522 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 2296154476 BYPKDJZSXDDIOH-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)cc1 2951418 FWTNGYBQESUAMV-HMMYKYKNSA-N 440.590 4.878 10 10 IJCE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 33436721 XQIRFZJAYBGQNJ-UUASQNMZSA-N 441.361 4.687 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C\c1ccccc1O 54201440 ULKPFAKZBRSSCA-FVHJOOJJSA-N 441.512 4.919 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3cccc4cccnc34)SC2=S)cc1OC 102725804 QACIEFFNKRAIEG-XSFVSMFZSA-N 436.558 4.696 10 10 IJCE CC[C@@H](N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(Br)ccc1O 390063892 KVZDCTMCURDTEB-AEFFLSMTSA-N 439.394 4.985 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1O 1655654889 ITPNABKDPGVPBB-OAHLLOKOSA-N 446.494 4.577 10 10 IJCE Cc1nn(Cc2ccccc2)c(C)c1CNCc1cc(Cl)cc(Br)c1O 1656665809 FDDKPEJUDKFAEZ-UHFFFAOYSA-N 434.765 4.960 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3c[nH]c4c(C(F)(F)F)cccc4c3=O)cc2)cc1 1866078335 PTOFXQWMTOYMTM-UHFFFAOYSA-N 437.421 4.972 10 10 IJCE CCN1CCc2cc([C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc3ccccc3)ccc21 2044751680 DDDXZKAFBQUBAC-DKLXNKCPSA-N 439.600 4.567 10 10 IJCE COc1cc(NCc2c(O)cccc2Br)ccc1CNC(=O)OC(C)(C)C 2192907500 AMUZCOGASSKCAX-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 2296025143 VHNMMZFRSKSRLH-UHFFFAOYSA-N 439.345 4.548 10 10 IJCE CC(C)COC(=O)CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S 2314740717 MEINQXDGDSCBDU-UHFFFAOYSA-N 441.574 4.666 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OCC)SC1=S 2314769454 QSPQNUHPYQGEAW-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S 2321643778 MNBIAMXUFVUKAU-UHFFFAOYSA-N 430.536 4.635 10 10 IJCE Cc1ccc(CN(C)Cc2ccc(I)cc2)c(O)c1Br 2381126583 ADBFNXFBKUDOKF-UHFFFAOYSA-N 446.126 4.700 10 10 IJCE Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1141648 KDGSKAJKUHNKGL-WQRHYEAKSA-N 425.491 4.811 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479328 ISBMEVDIAPNSRZ-IECBHUPTSA-N 442.581 4.561 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 16909844 WSQIOAWMDUFRKQ-CPNJWEJPSA-N 427.547 4.898 10 10 IJCE C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(OC)c2)SC1=S 33430202 KERAUFIICJRVFC-QNGOZBTKSA-N 441.574 4.930 10 10 IJCE COc1ccc(OC)c(-c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)no2)c1 109495595 UYLSQPWCLCUTQX-UHFFFAOYSA-N 435.524 4.621 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)sc2c1 208739422 BRLNMMGLBYVWAC-SFQUDFHCSA-N 439.587 4.835 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526170451 AQOXPENOFXYBPV-XMMPIXPASA-N 447.487 4.789 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526215297 SRYAMJJNHIIFBY-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE CCCCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586691648 CQLBWKXBMLYMBR-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE CC(C)(C)OC(=O)N1Cc2ccc(CNCc3c(O)cccc3Br)cc2C1 706834299 ULFLDSWSMMNMFI-UHFFFAOYSA-N 433.346 4.695 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)cc1F 1465006571 OTOXZPJEBUTLGM-UHFFFAOYSA-N 435.421 4.875 10 10 IJCE Brc1cc(CNc2nncn2Cc2ccccc2)ccc1N1CCCCC1 1621077823 QTYQTTOECFYBKA-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)cc1 1860075436 LBWWRNGDMSPXJM-CXUHLZMHSA-N 443.575 4.595 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1 1860076872 USSMJQFIUKTGRG-GXDHUFHOSA-N 434.520 4.629 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865672640 IPZDXFNPZNPBGI-CJLVFECKSA-N 428.488 4.855 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc(Cl)c(O)c(OC)c2)cc1 1865675231 VMFKFSIHIMLIQI-UDWIEESQSA-N 448.906 4.893 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(C)cc2)N=C1c1ccccc1 1865678479 NWYAFCPCGLJBSD-STZFKDTASA-N 428.488 4.855 10 10 IJCE CCC[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867015314 JWZFORULBFIJIB-KSFYIVLOSA-N 446.547 4.512 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)[C@@H]1C(C)(C)C 1877308823 ZDPBKZOGUQPNHD-DOTOQJQBSA-N 427.383 4.668 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1-c1ccccc1 1891933545 PKSXQIDDSODWHG-UHFFFAOYSA-N 443.428 4.846 10 10 IJCE COc1ccc(CNc2cc(C(=O)C(=O)c3ccc4cc(OC)ccc4c3)ccn2)cc1 2059921070 VSUWBPFQQCHJCT-UHFFFAOYSA-N 426.472 4.930 10 10 IJCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCCC2)c1I 2070202357 BVQOBSYPKRSYKC-LLVKDONJSA-N 441.269 4.759 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 2098524842 JCFBFLRJCPGHPF-DOMZBBRYSA-N 447.801 4.981 10 10 IJCE CC(C)Oc1ccc(C=C2SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2295956368 QONSVUHTITYFFM-UHFFFAOYSA-N 441.984 4.920 10 10 IJCE CC(NCCCOC(C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2296441854 YSDWBDYYYDJOMA-UHFFFAOYSA-N 434.565 4.726 10 10 IJCE CCCN(CCC)c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 2313548129 MKUBPBOTEXQLIT-UHFFFAOYSA-N 425.916 4.633 10 10 IJCE CCC(NC1Cc2ccccc2C1)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 2313710635 UMDMRUPXVQBYGR-UHFFFAOYSA-N 437.543 4.867 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2314767909 ISZWZYMDFJCVSV-HXUWFJFHSA-N 440.590 4.648 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131175 JVXPHOUHDFHJJI-XOSAIJSUSA-N 439.394 4.635 10 10 IJCE CCN1/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(OC)cc21 15944936 OZKNAHSPXJLAED-CZIZESTLSA-N 428.604 4.899 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)cc2)SC1=S 40938121 RKTCAUUWSSFCOZ-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cc(C)cc(C)c2)c2ccccn2)cc1 54120890 XZAVODCXQYUAFE-RUZDIDTESA-N 433.596 4.991 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2 251377583 SHIVJBOUCJGQNX-IAPYZZODSA-N 425.598 4.656 10 10 IJCE CN1CCc2cc(CNc3cc(I)ccc3Br)ccc21 312319337 ZFBRQEBJOVITNM-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@@H](C)C3CC3)c(Br)cc21 385525031 WIKLWPAGJGKKSJ-QKKBWIMNSA-N 428.374 4.857 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)c1 526551781 PHCSFXOPEPXUGN-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)ccc(F)c1O 687755971 KCQLZOUCTWMIGN-FQEVSTJZSA-N 439.414 4.725 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 717439663 CUVLXXLAERMEKC-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 1860084632 YEZGBIGXEWYDIN-XDHOZWIPSA-N 426.563 4.632 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675759 YOVQGKYOPGTHKA-FYJGNVAPSA-N 448.906 4.893 10 10 IJCE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(C)C)nc(C)n3)CC2)cc1 1867988815 KHHUCGTVZOVRDV-UHFFFAOYSA-N 431.584 4.535 10 10 IJCE CCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870873337 ADIARTDYBSNUIA-UHFFFAOYSA-N 449.551 4.946 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418475 KFWUYRWKGCSWQS-UHFFFAOYSA-N 448.526 4.881 10 10 IJCE CN(Cc1ccccc1N1CCOCC1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2042448195 GNFFYZLYIZHBOG-UHFFFAOYSA-N 433.596 4.575 10 10 IJCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2044747227 AXEZDBOYUPEYMH-IEXUWNMDSA-N 441.616 4.902 10 10 IJCE CC[C@H](NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 2092545057 PCEJVODXOPOKPU-RDJZCZTQSA-N 427.383 4.841 10 10 IJCE COc1cc(CNC(=O)OC(C)(C)C)ccc1NCc1cccc(Br)c1O 2153440444 PIFYJBNZEHIDAN-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3cc(Br)ccc3O)CCC[C@@H]12 2165309593 NXLSSVBGLISTTQ-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2201993023 PHOYEDPVYKSRAD-CNGORYIKSA-N 439.394 4.887 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc4ncccc4c3)SC2=S)cc1OC 2296885858 TURJJIHSCLTFQM-UHFFFAOYSA-N 436.558 4.696 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 2297346697 TVPULJQOAYPQQT-UHFFFAOYSA-N 442.342 4.659 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 2313548556 YFJDGNUIJKXHAY-UHFFFAOYSA-N 444.495 4.733 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccc1O 2321734281 RYKSQBANJVSRBX-UHFFFAOYSA-N 427.425 4.705 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)ccc3O)C2=O)cc1 2332124805 RCMJSCRTKVRVCT-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cccc(Br)c2O)C[C@H]2CCCC[C@H]21 2358976415 JMBKBWCWMRPTLT-QGPMSJSTSA-N 439.394 4.813 10 10 IJCE COc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3ccccc3O)C[C@H]21 20071008 JSIGOVKZTJBCPB-KBMIEXCESA-N 432.476 4.660 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C)SC1=S 40938680 KUJGTJNULFKNRI-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CCCCOc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 40945698 JOXBSMPQIGRSLI-UHFFFAOYSA-N 433.511 4.698 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)ccc21 590705054 MKZLOFHFJBHMNU-LJQANCHMSA-N 445.607 4.960 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCc1cc(Br)cc(F)c1O 715815727 ZMTULROKHVTIHW-HZPDHXFCSA-N 431.346 4.609 10 10 IJCE CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(NC(=O)/C=C\c2ccc(C)nc2)cc1 777861044 MKGXAZCYDMKEEX-VULZFCBJSA-N 426.520 4.812 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(O)nc4ccc(F)cc34)cc2Cl)C1 1128490623 XAQNLKCTEHNBNJ-AWEZNQCLSA-N 427.907 4.899 10 10 IJCE CCOC(=O)c1c(NC(=O)COc2ccc(C)c(N)c2)sc(C)c1-c1ccc(F)cc1 1860075095 GTMGJSNNGKZFME-UHFFFAOYSA-N 442.512 4.947 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1OCC 1865665319 MZNQULACBPSJGK-WJDWOHSUSA-N 436.405 4.967 10 10 IJCE COc1ccc(N2CCN(C(=O)CCc3ccc(OCc4ccccc4)cc3)CC2)cc1 1891864306 JTVFJMCJXOWPCJ-UHFFFAOYSA-N 430.548 4.556 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2cccc(Br)c2O)CCCCC1 2098648946 SEWGZMMVCVZHCP-UHFFFAOYSA-N 427.383 4.720 10 10 IJCE Cc1nnc(NC(=O)c2cccc(N3C(=O)C(=Cc4ccccc4)SC3=S)c2)s1 2296879828 FFTRNZYATLBCHV-UHFFFAOYSA-N 438.559 4.505 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc(OC)ccc3OC)C2=O)cc1 2313682754 KAGNMHZIOWKCTF-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Br 2352689646 ZHJWHXHAKSATFM-CZUORRHYSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352950889 ZIKRIDXCFYTJEC-GOEBONIOSA-N 427.383 4.636 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(C(F)(F)F)c1 15035770 WZJDBUPDJRKZMB-NVNXTCNLSA-N 440.443 4.684 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 20679309 NXYKKFJFNRCUAZ-JQYIIUTOSA-N 446.572 4.740 10 10 IJCE COc1ccc(-n2c(CCC(=O)N[C@H](C)CN(C)C)ccc2-c2ccc(Cl)cc2)cc1 23333935 PMMBSIHNWOAMKX-GOSISDBHSA-N 439.987 4.805 10 10 IJCE Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(C)c1Cl 38642793 DGHMFGCQLLKOGR-SIKLNZKXSA-N 445.003 4.998 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S 96840706 VNDQCDDOUXEBDR-NDENLUEZSA-N 435.526 4.705 10 10 IJCE CC/C(NC1Cc2ccccc2C1)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 206228797 UMDMRUPXVQBYGR-OCEACIFDSA-N 437.543 4.867 10 10 IJCE Cc1c(F)ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687756020 ZPDZZGGYAXEQQA-JOCHJYFZSA-N 435.451 4.894 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1O 1655548620 QRUKXYHAMVGSGX-UHFFFAOYSA-N 428.838 4.705 10 10 IJCE CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1C 1858055405 KLIMMTHLRAEICM-UHFFFAOYSA-N 444.940 4.782 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Cl)cc1 1865927559 VNBYAKDTRDEDLQ-OAHLLOKOSA-N 448.972 4.749 10 10 IJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873170292 UNDCISAEASFLTK-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCCC2)c1I 2070202358 BVQOBSYPKRSYKC-NSHDSACASA-N 441.269 4.759 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2294133718 CQQBRVAXZPINFY-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CCCn1cc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 2296938682 OFCITAFDQQXRNO-UHFFFAOYSA-N 441.409 4.737 10 10 IJCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2F)C(=O)Nc2cccc(Cl)c2)cc1 2297298903 LVVGRTZVNJEKDL-UHFFFAOYSA-N 437.902 4.955 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=Cc3ccc(-c4nc5ccccc5s4)o3)S2)C[C@@H](C)O1 2314488437 XITKZEASRFBLEA-BETUJISGSA-N 425.535 4.636 10 10 IJCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2314739983 CTJFNVWYFRIXCQ-MRXNPFEDSA-N 441.574 4.727 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139595 XHWSMJSLDJMXJB-UHFFFAOYSA-N 440.499 4.840 10 10 IJCE CCCCN1C(=O)/C(=C2\C(=O)N(CCC)c3ccc(Br)cc32)SC1=S 2508988 ZBXHXPFXMGBONW-CCEZHUSRSA-N 439.400 4.577 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 15045153 MVZMXMNDNIOLTO-SSZFMOIBSA-N 447.607 4.552 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 708072373 GRLAITLQDPKIIA-BXUZGUMPSA-N 433.774 4.591 10 10 IJCE Cc1ccc([C@H](C)CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 737649391 PYEKAQNSLJWCJO-CXDFQFJYSA-N 444.647 4.958 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cc(O)nc3c(Br)cccc23)cc1F 1144977624 KBHIUXKBHLWTJF-UHFFFAOYSA-N 446.320 4.618 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 1858594042 IQCXLZPLJNZCJF-QRYYFKOISA-N 445.591 4.695 10 10 IJCE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)cc2C1=O 1865898446 XVRPMGNFBGOEMI-MRXNPFEDSA-N 427.504 4.506 10 10 IJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)Cc3ccccc32)n1 1869126211 LNJLVUHYQYVCFZ-FQEVSTJZSA-N 443.595 4.705 10 10 IJCE NCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(F)c1Br 2166606393 JNOBUFDMOXAHHH-OALUTQOASA-N 432.381 4.680 10 10 IJCE CCOc1cccc(CNc2ccc(Br)cc2I)c1O 2240321667 GHEJAMBDZQFGBI-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 2293606184 BAPVDQRSMRMYLV-UHFFFAOYSA-N 449.981 4.912 10 10 IJCE CCOc1cc(C)c(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1C(C)C 2294216888 MGEOMSKIRNRPFF-UHFFFAOYSA-N 436.577 4.965 10 10 IJCE O=C1C(=CNC2Cc3ccccc3C2)C(c2ccccc2)=NN1c1nc2ccccc2s1 2313710613 MIJYPUAHIUTECR-UHFFFAOYSA-N 436.540 4.688 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828744 WZJDBUPDJRKZMB-UHFFFAOYSA-N 440.443 4.684 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 2230744 NQICBTGYFICFKT-HZHRSRAPSA-N 441.531 4.940 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccc(C)c(C)c3)C(=O)N=C2S1 33726685 OCCNUAHACFAAAF-NLEVOZIKSA-N 448.548 4.790 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210748964 FARYMTLUGKBVKO-GHRIWEEISA-N 445.522 4.588 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cccc21 586187057 KFMHTQPZINOBMJ-UHFFFAOYSA-N 432.284 4.570 10 10 IJCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1c1ccc(Br)cc1 740919086 ARVNAZQUYPEZBF-NRFANRHFSA-N 426.358 4.872 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1O 1169761241 GCRDRTSWJGLBBW-LEWJYISDSA-N 444.959 4.741 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1O 1473637082 BKZWUPMFNCKFHM-SFHVURJKSA-N 434.552 4.593 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@]3(CCSC3)C2)ccc1N1CCCCC1 1474062118 HHZMMUOMYWEPBT-YLJYHZDGSA-N 425.436 4.584 10 10 IJCE CC[C@H](C)N(C(=O)c1cccc(NC(C)=O)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859911323 WHBHYLXXDMEIDJ-INIZCTEOSA-N 440.499 4.866 10 10 IJCE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(I)cc1 1860074662 BCCCLAHKBIUEFV-NTEUORMPSA-N 441.290 4.836 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc(C)c1-c1ccc(C)c(C)c1 1865873986 PFFMIMZBSMCBOP-IBGZPJMESA-N 437.517 4.905 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CC(C)C)C2=O)cc1 1873170356 WPMYZCNSQZQTQL-FDDCHVKYSA-N 433.596 4.998 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2cc(Br)ccc2O)C1 2093954687 YFKRLPFWAXPCJV-OAHLLOKOSA-N 427.383 4.528 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2099669630 LCHMSVCZNKUUPP-KKBVYLPWSA-N 425.367 4.593 10 10 IJCE CC1CCC(CNCc2c(O)cccc2Br)(NC(=O)OC(C)(C)C)CC1 2136779722 NGFZLPGRGKRDNA-UHFFFAOYSA-N 427.383 4.718 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2C)SC1=S 2314760044 IHSFLYGEFVZUHM-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE Cc1ccc(CNC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352693071 OEPJAQYAKJBIMZ-HXUWFJFHSA-N 427.383 4.590 10 10 IJCE CCCCN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 33864416 SVGYPOIYTBLTHF-VHEBQXMUSA-N 426.538 4.744 10 10 IJCE Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O 102469504 RNWQOFIFCXCMQO-AMWUQPRHSA-N 431.546 4.986 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526368348 WMOSWPLLWDRFET-VWLOTQADSA-N 443.547 4.884 10 10 IJCE CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 1447364071 PPECWMZIIVCMTA-NRFANRHFSA-N 439.353 4.787 10 10 IJCE COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 1858135018 MDADIEMNCSCIDJ-UHFFFAOYSA-N 426.866 4.649 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)ccc1O 1860085329 DZRHKGLDVPVQLR-AWNIVKPZSA-N 426.302 4.803 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN3c3ccc(Cl)cc3)cccc21 1866146233 XQSGNUIUSNONSX-OAQYLSRUSA-N 430.891 4.723 10 10 IJCE CC[C@@H](NCC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2177554872 ZRCPARYAAUHSHA-QGZVFWFLSA-N 439.394 4.843 10 10 IJCE Cc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1O 2204611554 RKMNMVQRSJQHEC-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2297554554 GETHUDOMMOTXNB-KRWDZBQOSA-N 447.965 4.983 10 10 IJCE CCOc1cc(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc(Cl)c1OC 108427831 OVWNQKCOJIUPRK-IZZDOVSWSA-N 444.959 4.508 10 10 IJCE NCc1cc(F)c(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 312453129 DISFGCORLACXEO-UHFFFAOYSA-N 432.381 4.539 10 10 IJCE COc1ccc([C@@H](C)Nc2ccc(Br)c(I)c2)c(O)c1 312501750 ZWSHWXZIAFEAEO-SECBINFHSA-N 448.098 4.941 10 10 IJCE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 381864177 CQCUGFAXVSCKPL-VBKZILBWSA-N 427.383 4.718 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 708090156 OHPMWLRVAWADTI-GJZGRUSLSA-N 445.785 4.734 10 10 IJCE Cc1ccc(-n2nc(C)c(CC(=O)NCCCSc3nccs3)c2C)cc1Cl 733973777 WRASVPRTFISSHY-UHFFFAOYSA-N 435.018 4.749 10 10 IJCE CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN(C)[C@H]3c3cccs3)cc2)CC1 743600632 PWFCRBBZQYMBPB-ZJSXRUAMSA-N 440.657 4.867 10 10 IJCE Cc1ccc(S(=O)(=O)N(N=Nc2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)cc1 1084221633 YKXCDVMJCKIWHG-UHFFFAOYSA-N 441.425 4.706 10 10 IJCE COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1C 1857992203 NRZDOEAYVCEUQU-UHFFFAOYSA-N 435.549 4.505 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ncoc3-c3cc(Cl)ccc3Cl)CC2)cc1 1891643405 DXCTUUYXGRUILT-UHFFFAOYSA-N 432.307 4.619 10 10 IJCE Cc1cc(O)c([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1C 1953058471 JRVVUVYTWORLMT-WNCULLNHSA-N 443.499 4.848 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2Br)cc1C 2080055080 ZTHNWXZZMJLIFM-OAHLLOKOSA-N 432.284 4.835 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2c(O)cccc2Br)CC12CCCC2 2098978343 IJSVCCQDPOJKKS-CQSZACIVSA-N 425.367 4.567 10 10 IJCE CC1(C)CC[C@H](NCc2c(O)cccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2155359393 ZHCQYOVVJCEISG-YOEHRIQHSA-N 441.410 4.964 10 10 IJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)c3ccccc32)c1 2294106375 ACFOULJHDBVAGU-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 2297499929 VBDAIVCWNIVGDW-UHFFFAOYSA-N 448.548 4.736 10 10 IJCE CCCCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 2314768754 MQAAONNBCISHFU-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE Cc1ccc(CN[C@]2(C)CCCN(C(=O)OCc3ccccc3)C2)c(O)c1Br 2327618989 PRRIRLXJHYPYMM-JOCHJYFZSA-N 447.373 4.744 10 10 IJCE [N-]=[N+]=NC[C@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2377267922 XNUPPBWFRASGLI-GFCCVEGCSA-N 449.134 4.966 10 10 IJCE CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 5098674 LNZVVDPCOLLGGV-AREMUKBSSA-N 429.564 4.685 10 10 IJCE O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C\c1cccs1 7003243 YEQFGKSTECFBRK-PDGQHHTCSA-N 438.892 4.647 10 10 IJCE CCOC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)o1 33323851 CZYWFFCVVXDANQ-ZHZULCJRSA-N 444.443 4.938 10 10 IJCE C=CCN1C(=O)/C(=C\c2ccccc2OCCOc2ccc(C)cc2OC)SC1=S 33447041 USZABEOJLJPWIO-RCCKNPSSSA-N 441.574 4.849 10 10 IJCE O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1Nc1nc2ccccc2s1 35519192 MINBATZAKBGZPP-YBEGLDIGSA-N 435.559 4.915 10 10 IJCE CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 107587094 NEKMRCZLSUQMMU-DEDYPNTBSA-N 449.557 4.532 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526380502 VEHYFFPAVCXOSN-QFIPXVFZSA-N 436.533 4.889 10 10 IJCE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705846216 WBQMPBFKLAIWQT-UHFFFAOYSA-N 436.629 4.541 10 10 IJCE COc1ccc(CCN=NNc2ccc(I)cc2C)cc1OC 1860495697 MRLCECPBMVGIBH-UHFFFAOYSA-N 425.270 4.639 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCCC(C)C)[nH]c4c3)CC2)cc1 1872825031 NZCBZCIEHUEBCK-UHFFFAOYSA-N 438.597 4.672 10 10 IJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2Br)C2(C)CC2)c(O)c1 2079857653 CYQXJKLEITWSMW-AWEZNQCLSA-N 433.224 4.581 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC(CN=[N+]=[N-])CC2)c1 2180964901 YXCLDSQKLUDSDA-UHFFFAOYSA-N 438.326 4.959 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(OC)cc3OC)C2=O)cc1 2313683249 VPGTZQFUCQSCGI-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 2321720048 KURSSXVJYARHQG-UHFFFAOYSA-N 428.491 4.566 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 32964219 BZBHBKMQQPMPKJ-DTRPCSQLSA-N 436.497 4.585 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526404527 PKEJRCGFZUVVKN-XMMPIXPASA-N 447.487 4.952 10 10 IJCE Cn1ccc([C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccc(F)cc2)n1 775628589 CRMQAPMNGFASGS-PGRDOPGGSA-N 430.474 4.509 10 10 IJCE CC(=O)N[C@](C)(C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)C(C)C 1654253346 PYIJQNMYDLTTRN-REWPJTCUSA-N 449.517 4.849 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(CCCCN(CC)CC)C2=O)cc1OCC 1858595626 FJEQQINTIPBXKB-CAPFRKAQSA-N 436.643 4.807 10 10 IJCE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1Cl 1858687502 MAHRJFOJFHARPE-CQSZACIVSA-N 440.887 4.643 10 10 IJCE O=C1c2ccccc2C(=O)c2c(N=c3ccc(-c4ccc5c(c4)CCCC5)n[nH]3)cccc21 1859833051 ZCSKMXNQTLQANY-UHFFFAOYSA-N 431.495 4.963 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1 1860085917 UCYKEAXZNXDVLO-XSFVSMFZSA-N 433.514 4.986 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F 1865678690 ZHSGWGZHLGWPBP-AUWJEWJLSA-N 440.805 4.714 10 10 IJCE CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870866715 UZCPZEABZGUDJC-UHFFFAOYSA-N 449.551 4.944 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873166730 FYBGQFLQRGJFDT-LJQANCHMSA-N 425.532 4.687 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccccc2Cl)[nH]n1 1874179446 FCUXBTOOMXUGNM-UHFFFAOYSA-N 427.847 4.758 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1c1ccc(OCc2ccccc2)cc1O 1952582309 SKXAXAOWFWXCSA-PXNSSMCTSA-N 427.497 4.744 10 10 IJCE CC(C)[C@@H](C)[C@@H](CNCc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C 1967798690 RVEICMBSVIRDST-MLGOLLRUSA-N 433.362 4.569 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2044747230 AXEZDBOYUPEYMH-WUMKDDEVSA-N 441.616 4.902 10 10 IJCE CCCN1C(=O)C(=C2SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21 2296711320 MQGFJPYREDCVNT-JTQLQIEISA-N 439.400 4.576 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 2297624931 IRUKINRFZLQEAK-UHFFFAOYSA-N 439.943 4.932 10 10 IJCE Cc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1C 1207716 DCVKRSLTTUOGFO-FOCLMDBBSA-N 445.363 4.794 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccs2)SC1=S 15046458 UNOSDFLBNMKADP-AHEVQNHNSA-N 442.509 4.995 10 10 IJCE CCc1ccccc1N/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C 17782955 HOEAEDWGVLICEA-SFQUDFHCSA-N 431.277 4.572 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C\c3ccccc3OC(C)C)cc12 33535766 ZIVQBTZZLOJPLL-FLIBITNWSA-N 431.536 4.819 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526292774 KJRUJLJUMYKYCF-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586719701 WRLFJXUUHOTYHT-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 781635362 HKGBGWSCYRNKCG-OPAMFIHVSA-N 434.374 4.878 10 10 IJCE CC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 915864900 HKFMXXKOPPJPTH-JOCHJYFZSA-N 427.464 4.804 10 10 IJCE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1634023059 VBOIGYLXOLTNOD-WMZOPIPTSA-N 437.971 4.708 10 10 IJCE CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666481 NCMFNZYGCQWVQO-CXUHLZMHSA-N 429.314 4.664 10 10 IJCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902271981 RRUKXHICQTYPAC-QGZVFWFLSA-N 445.523 4.749 10 10 IJCE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985101128 OELOOPCVHXHPMQ-HKARXFIJSA-N 447.539 4.851 10 10 IJCE CN1CCCc2cc([C@H](O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044733042 HGLGPZATGILYLI-ISKFKSNPSA-N 440.584 4.603 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2079013833 REPMBFPNZHFYOB-GOSISDBHSA-N 440.325 4.507 10 10 IJCE CCc1nn(Cc2cc(Br)ccc2O)c(Br)c1C(F)(F)F 2079654090 RXKDINAKBHUJPH-UHFFFAOYSA-N 428.046 4.743 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C=O)c1I 2080000558 WHMXCCVQCQVAIW-OAHLLOKOSA-N 438.309 4.674 10 10 IJCE CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296756218 NJWGNQOTQZYZGW-UHFFFAOYSA-N 444.965 4.773 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCC(=O)O 2314934348 ZCNDZNSKXIGXRD-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2cc(C)ccc2C)N=C1C(F)(F)F 2332141408 VZFIBQPQCFJJNC-UHFFFAOYSA-N 448.441 4.673 10 10 IJCE C[C@H](c1ccccc1O)N(C)Cc1ccc(I)c(Br)c1 2377315834 KJFFLWDXJABAJE-LLVKDONJSA-N 446.126 4.952 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 33333133 QRGKWPIRRACORI-BKUYFWCQSA-N 439.471 4.595 10 10 IJCE CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(N(C)C)cc2)s1 35003438 JDENPOXGXMLPOF-IBGZPJMESA-N 446.532 4.584 10 10 IJCE CC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693546 TXKCTAQZBBFTLY-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cc(Cl)cc(Br)c3O)CCC[C@H]12 708055583 FXGHKCNQDSZKHW-KXBFYZLASA-N 445.785 4.830 10 10 IJCE CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3sccc3Br)cs2)cc1 727248259 LROGCQSHHKXBCH-UHFFFAOYSA-N 443.369 4.638 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1N1CCCCC1 1474062117 HHZMMUOMYWEPBT-XLIONFOSSA-N 425.436 4.584 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1OC 1860086768 GFOBUJFIKYVNCK-XDHOZWIPSA-N 443.546 4.676 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)cc1Br 2190540829 NCDIFCIEJUYIPT-VXPBHUBDSA-N 429.402 4.989 10 10 IJCE CCCCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 2293615639 TWQZNXWPGSSCAL-UHFFFAOYSA-N 448.548 4.954 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(C)=O)cc2)C1=O)C(=O)O 2314932532 NNWZITNGCRVEJF-KRWDZBQOSA-N 441.530 4.537 10 10 IJCE COc1cc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc(OC)c1OC 2321738532 MOAROUUEUAZXNA-UHFFFAOYSA-N 445.562 4.905 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357094781 ZUUJLYGDMPTBIW-JPLJXNOCSA-N 433.365 4.867 10 10 IJCE Cc1cc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)n1-c1ccccc1 23777846 XRRMTYGBYWARHG-MYILAFDMSA-N 428.511 4.886 10 10 IJCE COc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)cc1 33316786 FNHNVZNDICOTEC-STZFKDTASA-N 431.517 4.774 10 10 IJCE CCCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 40562475 GDPOJHMTLXZUKC-CYVLTUHYSA-N 441.622 4.771 10 10 IJCE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(C)n1-c1ccc(F)cc1 45343119 OLDUZKDFWBHLKF-UHFFFAOYSA-N 443.544 4.562 10 10 IJCE CCCCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 206936347 QHYARMOBIMOHJB-RGEXLXHISA-N 426.563 4.720 10 10 IJCE Brc1cc(CNCc2cccc(N3CCOCC3)c2)ccc1N1CCCCC1 1178811169 QMHFSKSAPMHARM-UHFFFAOYSA-N 444.417 4.566 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1858594429 YYUBDCNQHUINHP-KFXIKWRMSA-N 437.464 4.603 10 10 IJCE CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666264 HCRAVLMRXIDJOF-MHWRWJLKSA-N 429.314 4.745 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)cccc21 1868169605 KVJROJGZHKMNIM-QHCPKHFHSA-N 432.479 4.822 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 1962885147 UMWMQXNLIUELNM-DOMZBBRYSA-N 447.801 4.981 10 10 IJCE CCCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S 2042449566 FQGAEIBIEVOACI-UHFFFAOYSA-N 447.607 4.838 10 10 IJCE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1 2080053750 WADCGJVQXNMKCB-HNNXBMFYSA-N 425.323 4.601 10 10 IJCE NCc1cc(F)c(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163326364 MSERMRWVLRHYCE-JOCHJYFZSA-N 432.381 4.539 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1O 2236043910 NHGOXIPVVYLXLR-OGNFBWPZSA-N 432.358 4.637 10 10 IJCE COc1cc(N2N=C(C)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Cl 2313548166 NRYULAFSVUBTKD-UHFFFAOYSA-N 449.942 4.929 10 10 IJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)o1 2313553087 FFYGAIYGIJXPHY-UHFFFAOYSA-N 445.431 4.922 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c(O)c1Br 2352675540 HNPMCWHQAOFCPJ-DOTOQJQBSA-N 427.383 4.587 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c(O)c1Br 2381131885 SYQRWCIREJBQBS-WHSLLNHNSA-N 439.394 4.588 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(O)cc1 15044354 FZIJDNGEUOPJFL-RGEXLXHISA-N 444.553 4.932 10 10 IJCE C[C@H]1C[C@@H](C)CN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 20108002 ICKJYJIRMIKHLF-GASCZTMLSA-N 433.508 4.798 10 10 IJCE N=C1/C(=C\c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 20324614 VJZKMBBUTDJLSR-AZAZKDLZSA-N 434.502 4.832 10 10 IJCE COc1cccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1OCc1ccccc1 209861901 VKKALIJXZSRMJA-PXLXIMEGSA-N 442.471 4.779 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c(Br)c1 719372125 MEHLQQXIIZCUFA-HOJAQTOUSA-N 428.418 4.688 10 10 IJCE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(C(C)C)cc1 1862372138 BQDOCXQTRMWCDK-UHFFFAOYSA-N 432.568 4.664 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)sc(C)c1-c1ccc(C)c(C)c1 1865923147 PRWWNJJJQSSLDF-QGZVFWFLSA-N 442.581 4.712 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)COc2cccc3ccccc23)N2CCCCC2)cc1 1866166490 GAXVUXACOUCIKJ-VWLOTQADSA-N 431.580 4.628 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)C)c(C=O)c2I)cc1C 2079970986 ACQHXMAXTIZISE-GOSISDBHSA-N 438.309 4.745 10 10 IJCE CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCC3)c(Br)cc21 2152255261 CZJAECVAYJXAKI-NRFANRHFSA-N 428.374 4.859 10 10 IJCE CC(C)[C@]1(NCc2cc(Br)ccc2O)CCCN(C(=O)OC(C)(C)C)C1 2274264575 PMWYKXXTARMALK-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE O=C1C(=Cc2cc([N+](=O)[O-])ccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 2297258611 DAALFCGATIHRRK-UHFFFAOYSA-N 426.397 4.725 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c(C)c1 2297469959 OYRUPJUUPCTKKE-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3c(C)[nH]c4ccccc34)SC2=S)cc1OC 2314656390 RUWVPOYXMUEWTI-UHFFFAOYSA-N 438.574 4.937 10 10 IJCE CC[C@]1(C)[C@H](NCc2ccc(C)c(Br)c2O)CCN1C(=O)OC(C)(C)C 2352683703 JZXMEBLQAVYSNZ-FOIQADDNSA-N 427.383 4.731 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 16926512 HZFNVZJDPKTHRY-AQTBWJFISA-N 435.567 4.822 10 10 IJCE CCCc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598115 WSIMJGRHXNINRL-VWLOTQADSA-N 447.579 4.534 10 10 IJCE COC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 40867629 JAMKJXKPIBOKEI-DHDCSXOGSA-N 434.336 4.642 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 137677139 BKIHBMAGVCGRDX-QEFZIUGGSA-N 434.521 4.864 10 10 IJCE Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)c(C)n1-c1cccc(Cl)c1 303129356 BNLRAICLTXORBF-UHFFFAOYSA-N 428.989 4.552 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526320154 KMALOVDMHWLVBB-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(Br)cc1 526431435 CLUHGBQQEHRTCI-SFHVURJKSA-N 444.306 4.979 10 10 IJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 526531431 NQUMMJQTZIKSCG-HSZRJFAPSA-N 445.471 4.640 10 10 IJCE CC[C@H](C)NC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586704567 OJOLXGCRPJZYMM-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE COc1c([N+](=O)[O-])cc(N2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1Br 776807828 YIYXDZFAHYIREN-MNOVXSKESA-N 440.250 4.845 10 10 IJCE Cc1ccc(/C=C/C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cn1 799381664 LDNUVHKVXOJGTC-QPJJXVBHSA-N 431.721 4.776 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(nc3O)CCCCC4)cc2Cl)C1 1626168755 FGYMSZAKIUYMAB-INIZCTEOSA-N 427.976 4.876 10 10 IJCE Brc1cc(CNc2ccccc2CN2CCOCC2)ccc1N1CCCCC1 1657491965 XDZPXPZKXDMOSD-UHFFFAOYSA-N 444.417 4.884 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)cc1 1860075664 OPIUCQUNQBPNNE-VXLYETTFSA-N 438.530 4.759 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2c2ccc(OC)cc2)ccc1O 1865649809 FOSNUMNUOCMKBQ-HYARGMPZSA-N 446.478 4.769 10 10 IJCE CNC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1866192395 HGBFIUDAZMQHEL-ROUUACIJSA-N 442.581 4.618 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNCc2cc(Cl)cc(Br)c2O)C1 2052335692 IXOHNGBLZHEBFY-VDISTLRHSA-N 433.774 4.591 10 10 IJCE Oc1cccc(Cl)c1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079832824 ZKQDNHSACDBBSM-UHFFFAOYSA-N 442.606 4.791 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)cc(F)c2O)CC12CC2 2172008137 CAYVBRGAVBBZPQ-ZDUSSCGKSA-N 443.357 4.563 10 10 IJCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c(C)[nH]c2ccccc12 2293963645 FQLVCNZBDVLHNO-UHFFFAOYSA-N 429.549 4.915 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2314482347 ILADHQHZRKNYRK-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE O=C(NN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S)c1ccc(Cl)cc1 2314764801 MRSLBTYPTIUWMV-UHFFFAOYSA-N 427.309 4.679 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2341166932 DWXXQYDYJQDETN-ZFZWDLNGSA-N 425.367 4.593 10 10 IJCE COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1 6172116 SLKVWHCVHVPJEC-NFECSFHCSA-N 426.310 4.883 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473529 ZWGDWFRNUNFMOK-DRSNIGMVSA-N 441.915 4.841 10 10 IJCE Cc1ccc(Cl)cc1N1CCN(C2(c3ccccc3)C(=O)c3ccccc3C2=O)CC1 20178018 AUGXNPOQILUORR-UHFFFAOYSA-N 430.935 4.745 10 10 IJCE aggregator CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccccc1)c1ccccc1 65080254 NUWZJPQGHLRIIQ-UHFFFAOYSA-N 425.488 4.938 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1O 687810806 KGJWDNXXVSOBJJ-VWLOTQADSA-N 435.451 4.760 10 10 IJCE CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 741922939 NIOLEGRIJWVQSC-UHFFFAOYSA-N 429.948 4.804 10 10 IJCE Cc1cc(Br)c(O)c(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 781920018 HPPPZYYBLAVTRA-MRXNPFEDSA-N 429.358 4.579 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 1653308068 IZEVSTNIOMMXRD-HXUWFJFHSA-N 433.335 4.850 10 10 IJCE 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FIYKYQFIIKCUCJ-UHFFFAOYSA-N 436.103 4.723 10 10 IJCE Cc1ccc(CN[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(O)c1Br 2380812510 WMRFTEFOZUZBCS-QGTPRVQTSA-N 439.394 4.587 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 13639269 VWLGXFIQUGPGQA-ZWOKBUDYSA-N 427.342 4.652 10 10 IJCE CN(C1=NC(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S1)c1ccc(Cl)cc1 38182940 LVEYBLWYSHBMNM-CCEZHUSRSA-N 448.729 4.532 10 10 IJCE COc1cc([C@@H]2OC(c3cccc(C)c3O)=NN2C(C)=O)ccc1OCc1ccccc1 64567444 ZOLYTYOMTSTJRH-VWLOTQADSA-N 432.476 4.527 10 10 IJCE Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)n1 170569383 DRCIOPXHORYXGE-UHFFFAOYSA-N 448.482 4.865 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 526377388 JOGHBKHREHYXBS-DEOSSOPVSA-N 447.487 4.951 10 10 IJCE Cc1cc(CCNC(=O)N[C@@H](Cc2nccn2C)c2ccccc2)c(C)n1-c1ccccc1 745391414 NQDABNLYADEJDQ-VWLOTQADSA-N 441.579 4.653 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 1084107257 HCSOTRNVXUBIHY-BKUYFWCQSA-N 431.467 4.516 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c1O 1659335230 YLJZCXDUFDGBRD-LJQANCHMSA-N 428.504 4.580 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)CC1 1858591505 QJQYRKZKQXBHPQ-RVDMUPIBSA-N 444.500 4.528 10 10 IJCE CCc1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)cc2[nH]1 1859076821 HGTMSWIGPZTAHO-UHFFFAOYSA-N 427.508 4.696 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(N)c2I)c(O)c1 2079005747 PDLWZJUEDGQMNC-KRWDZBQOSA-N 425.314 4.597 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3ccc(Br)cc3O)CCC[C@H]12 2098312665 PEBNMXCGUVWCFJ-FXAWDEMLSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C12CC2 2108029349 KEAWNDOGMIJUON-ZDUSSCGKSA-N 445.785 4.687 10 10 IJCE NCc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(F)c1Br 2163330594 LJHWURAATUVMDA-UHFFFAOYSA-N 432.381 4.539 10 10 IJCE O=C(O)C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2296880151 UAABNFJMJNTVBL-OAHLLOKOSA-N 448.363 4.866 10 10 IJCE O=C(O)COc1ccc(C=C2SC(=S)N(CCC3CCCCC3)C2=O)cc1Cl 2297361295 HCXFXQKGRPTKOS-UHFFFAOYSA-N 439.986 4.975 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 2313681860 PDVSUCGUDGKOCI-UHFFFAOYSA-N 445.523 4.994 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734187 UXYXSDMIXAIKCL-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479634 LWXFTLBKTRDOKY-JTFSCDOYSA-N 442.581 4.607 10 10 IJCE Cc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 15045162 VVAHMXVDGKLUCI-SSZFMOIBSA-N 431.608 4.852 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCCC(=O)O 16920027 IYGPAHZNBSTHCX-DEDYPNTBSA-N 440.521 4.638 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C\c1cccnc1 54201434 UOLSQSQTMYOBAZ-CWGWECIMSA-N 426.501 4.609 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C/c1ccc(O)cc1 206363528 JOANWMXDGOEMMJ-VSIOZEBNSA-N 441.512 4.919 10 10 IJCE CN1C(=O)/C(=C(\Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)SC1=S 211952459 MZJNALPVVBVZTR-SSZFMOIBSA-N 436.480 4.631 10 10 IJCE CCOc1cccc(CNc2cc(Br)ccc2I)c1O 312629416 RUALZKJBJDYXSN-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE C=CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 1443635182 UHTNVGIVBOBXON-UHFFFAOYSA-N 429.520 4.733 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1O 1559760874 BXWTXLJZENPUKY-SFHVURJKSA-N 442.712 4.723 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951593331 TWSZJTNDCCCMJQ-JOCHJYFZSA-N 447.487 4.933 10 10 IJCE CCN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2044752043 HYXHMTWGCICZHO-UPVQGACJSA-N 441.616 4.903 10 10 IJCE Cc1cccc(C2=NN3C(=N)C(=Cc4cccn4-c4cccc(F)c4)C(=O)N=C3S2)c1 2297346713 XUYHTSLVCGINNI-UHFFFAOYSA-N 429.480 4.592 10 10 IJCE Cc1ccccc1OCCOc1cccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297463099 DVNQUBOGEXFGFG-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccncc3)S2)C1 2314457895 MNDGJGRTRLPDKC-QGZVFWFLSA-N 429.549 4.637 10 10 IJCE CC(C)(C)OC(=O)NCCOc1ccc(NCc2cc(Br)ccc2O)cc1 312186209 OTCGJTJHPALIKW-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC[C@@]1(CNCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 388746889 BHVGFRBRSKAOES-FQEVSTJZSA-N 427.383 4.672 10 10 IJCE Cc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c1 526161138 YRUHBDIULCWQBG-VWLOTQADSA-N 442.515 4.889 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cnc(O)c4ccccc34)cc2Cl)C1 1235832919 HTCZXEIXJIZMBZ-MRXNPFEDSA-N 438.959 4.830 10 10 IJCE Brc1cc(CNCCN2CCCc3ccccc32)ccc1N1CCCCC1 1308229128 STTNQGPBDFBCQO-UHFFFAOYSA-N 428.418 4.982 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1465990710 OYQSXFXRCGNRKU-VWLOTQADSA-N 444.531 4.572 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@](C)(NCc2cc(Cl)cc(Br)c2O)C1 1962983020 HHOUDTKOVGFSNT-GOSISDBHSA-N 433.774 4.687 10 10 IJCE O=C1C(=Cc2ccnn2-c2ccccn2)SC(=S)N1Cc1cccc(C(F)(F)F)c1 2069462979 LHMFXEKSYATHEP-UHFFFAOYSA-N 446.479 4.688 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1Br 2079036005 OFNZPFFCMSBRBB-CQSZACIVSA-N 447.251 4.855 10 10 IJCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 2313681805 NSJRXQYPJBICAZ-UHFFFAOYSA-N 437.887 4.558 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)N1CCCCC1 2314487770 RVUFZJGHELPONE-UHFFFAOYSA-N 444.622 4.612 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O)C(=O)O 2314931102 CGWRHOZVQNYTEI-WMLDXEAASA-N 427.547 4.891 10 10 IJCE COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)cc(OC)c1OC 20070881 GTQLLNKHOIZCCS-IBVKSMDESA-N 446.503 4.969 10 10 IJCE COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O 20274823 UHCPVOKANKFBAQ-XJPNONJMSA-N 428.492 4.575 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1OC 59371001 QLBORKRUMFQHOF-ZDLGFXPLSA-N 434.970 4.936 10 10 IJCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 103719348 ZYVRLGNQPUJUCF-CYPXAJCBSA-N 439.924 4.883 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526223721 RHKDZEQQBJRZHB-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526434181 RANOWZLMIGPJOZ-XMMPIXPASA-N 445.471 4.756 10 10 IJCE CN1CCc2cc([C@@H](CC(=O)O)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 686858552 AHQVCWQKWZKCJR-XMMPIXPASA-N 442.515 4.733 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754224680 CFXZRZQUHHEFRF-UHFFFAOYSA-N 441.553 4.966 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 1083906107 FLNZBDCRAJBCRZ-QNGOZBTKSA-N 441.622 4.837 10 10 IJCE Brc1cccc(C[C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)c1 1653956397 JIFSKOQQJKOHJS-HSZRJFAPSA-N 429.402 4.883 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1nccs1 1705605161 CHZDXICULZVPNL-UHFFFAOYSA-N 444.608 4.901 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)ccc1O 1860087188 GNQWZNAGNQQNPC-CXUHLZMHSA-N 436.352 4.878 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654587 YTMNUFVUMBFMGY-YDZHTSKRSA-N 428.488 4.553 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2nccn2C)cc1 1865940221 UBNFWWSKBLOBFM-XMMPIXPASA-N 426.520 4.798 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873168101 JBPOHGCILXGNRA-QGZVFWFLSA-N 447.604 4.866 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F 1951381361 LTKDZBJHGNFZRP-HSZRJFAPSA-N 434.467 4.556 10 10 IJCE CC(C)c1nn(Cc2c(O)cccc2F)c(I)c1C(F)(F)F 2079828825 SVKNFEUNEWDRBL-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1I 2234170664 GBSSVJFKQDKWJN-NXEZZACHSA-N 425.057 4.559 10 10 IJCE O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(I)cc1 2321616863 RNEDJOQPQGJXOX-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(C)c(Br)c1O 2352675485 HGMQYRZEWFUEAW-GOEBONIOSA-N 427.383 4.588 10 10 IJCE O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)C(c1ccccc1)c1ccccc1 9445610 CXOKUAZKWIZFQA-NBVRZTHBSA-N 436.583 4.813 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467319 FAEBHKGRLFQBOA-BIENJYKASA-N 439.364 4.776 10 10 IJCE C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(OC)c3)c2)SC1=S 33430285 WAMWUJIGBSRNHU-QNGOZBTKSA-N 441.574 4.930 10 10 IJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)cc1 64929181 VDKXKJCEGRVKRY-HSZRJFAPSA-N 443.595 4.523 10 10 IJCE COc1ccc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)cc1 96195109 YVOHJQMRQDOLDL-UHFFFAOYSA-N 431.565 4.639 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226724761 LCJPYXXTZXYWQZ-JBYGMCGMSA-N 444.984 4.624 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2ccc(I)cc2Br)c1 312335458 CDFVJVGTCUNWHI-SECBINFHSA-N 448.098 4.941 10 10 IJCE COc1cc(CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C2CC2)ccc1O 727599666 OZIYQYGESHQIOV-UHFFFAOYSA-N 433.552 4.725 10 10 IJCE Cn1ncc(Br)c1/C=C1/SC(=S)N(c2ccccc2C(F)(F)F)C1=O 778245497 HFEKUSZQYUQNIG-WUXMJOGZSA-N 448.289 4.607 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1OCC 1858591963 DQQYRHONQVQAJK-BRFSQIRFSA-N 437.583 4.575 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668208 MBWVTAHENBPFLC-XQNSMLJCSA-N 444.487 4.556 10 10 IJCE CCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168133 KBCHUWYCSSFYSJ-FQEVSTJZSA-N 427.548 4.935 10 10 IJCE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1O 1902249737 LOJXGANIDUMAAW-QGZVFWFLSA-N 442.515 4.641 10 10 IJCE Cc1ccc([C@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079002139 CJTAWYMJTYRLPU-KRWDZBQOSA-N 440.325 4.507 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3cc(Br)ccc3O)CCCCC[C@H]12 2153949516 GJVYBQMWLJRWSL-GHTZIAJQSA-N 439.394 4.957 10 10 IJCE C[C@H]1C[C@H](N(C)c2ccc(CNC3CC3)cc2Br)CN1Cc1ccccc1 2154841021 WCWPNMAAKQSMAB-UWJYYQICSA-N 428.418 4.800 10 10 IJCE CCCCN1C(=O)C(=C2SC(N(C)c3ccc(Cl)cc3)=NC2=O)c2ccccc21 2297314980 ODEYKKYPFUEVLZ-UHFFFAOYSA-N 425.941 4.964 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc(F)cc3F)SC2=S)c1 2321683335 AKZMPBJRRMLLNG-UHFFFAOYSA-N 425.865 4.811 10 10 IJCE Cc1ccc(CN[C@@H]2CCC(C)(C)N(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352941205 OANUNOLJCHTOFS-OAHLLOKOSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CCC3)c(O)c1Br 2380812534 WTGMFBGDQGISOR-IERDGZPVSA-N 439.394 4.875 10 10 IJCE O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccco1 876900 OGEJQLBTZOJZEI-NTEUORMPSA-N 441.783 4.604 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)cc1OC 20070973 GGCLGPNZMJWWRI-CLOONOSVSA-N 432.476 4.660 10 10 IJCE CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708076529 MZYXEJXTYCEOHR-AWEZNQCLSA-N 435.790 4.981 10 10 IJCE Oc1c(Br)cccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 769232781 LSMUOPFUSDYIOR-HNNXBMFYSA-N 432.293 4.723 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 1473503098 FLOMRNZALQTXQT-ZWKOTPCHSA-N 434.552 4.593 10 10 IJCE CC(=O)N1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC12CCCCC2 1621130568 CKZJXSOYILICPS-UHFFFAOYSA-N 448.449 4.806 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c2nccn2C)cc1 1865931563 HRDWQWUEFJNECJ-VWLOTQADSA-N 448.611 4.848 10 10 IJCE C[C@@H](NCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(N(C)C)cc1 1960162675 ILGMQTLPNFDNOO-LJQANCHMSA-N 429.564 4.942 10 10 IJCE Cc1c(C2CCC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079790901 TYSOFUUYTDKOSG-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(Br)c2O)CC12CCCCC2 2155204224 XGDQRFMVUYANNC-INIZCTEOSA-N 439.394 4.957 10 10 IJCE CN(Cc1ccc(Br)o1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2169885284 FQFSAUGAELELRK-UHFFFAOYSA-N 436.350 4.554 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2186713661 XIQJBJWRSCJMKK-LIRRHRJNSA-N 443.307 4.756 10 10 IJCE CCCCOc1ccc(N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2313608952 BHWBQRGCGQDUMT-UHFFFAOYSA-N 445.562 4.994 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2ccccc2Br)SC1=S 2323831845 KDRPPRVGYMTXER-UHFFFAOYSA-N 427.433 4.772 10 10 IJCE Cc1ccc(CNCC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(O)c1Br 2381134341 ATOXKEZHHFBFRM-VCSGRIEYSA-N 429.402 4.996 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469238 VPRACMOAGAIBKY-DFIYOIEZSA-N 432.520 4.683 10 10 IJCE COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)cc1 20071171 POFQXNDYLIIEBH-BWKNWUBXSA-N 444.487 4.738 10 10 IJCE CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21 20867587 MHFPQOBQYXLBGA-PGMHBOJBSA-N 425.488 4.614 10 10 IJCE CCCCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 40853075 ZQPROYKYLIAPDI-UHFFFAOYSA-N 430.456 4.928 10 10 IJCE COc1ccc(N2CCN(c3nc(NCc4ccc(F)cc4)c4ccccc4n3)CC2)cc1 96194931 XIEUDWCOAYUDOG-UHFFFAOYSA-N 443.526 4.716 10 10 IJCE Cc1cc(C(=O)CSc2nc3sccc3c(=O)n2C)c(C)n1-c1cccc(F)c1 97601726 FAKYFPVBNDKZRH-UHFFFAOYSA-N 427.526 4.517 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCCNCc2cccc(Br)c2O)CC1 400942134 GRYKMNZTQBQNTO-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 1084610897 YTWINFQEVYPTGT-MOSHPQCFSA-N 435.936 4.579 10 10 IJCE Cc1cc(C(=O)Cn2c(O)nnc2-c2ccccn2)c(C)n1-c1cc(Cl)cc(Cl)c1 1459075153 SIEHDRTZEOGWFP-UHFFFAOYSA-N 442.306 4.643 10 10 IJCE COc1cc(C)c(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1C 1857992845 YYUZVIHNHLSXLT-UHFFFAOYSA-N 449.576 4.814 10 10 IJCE CCc1nc2ccc(C(=O)Nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)cc2[nH]1 1859091327 MMQSWPFHYNFZLJ-UHFFFAOYSA-N 427.508 4.696 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)ccc1O 1860085965 YZITXDFHXIIABG-KGENOOAVSA-N 434.542 4.792 10 10 IJCE CCN(CC)c1ccc([C@@H](N)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999538698 RNBAODAZHIROPZ-XZOQPEGZSA-N 427.589 4.643 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(C=O)c2I)cc1C 2080054361 PEAOSLURMBABCQ-OAHLLOKOSA-N 448.251 4.806 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2295914082 MRRVQTRFWFVHLY-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE O=C1C(=Cc2cc3cc4c(cc3nc2Cl)OCCO4)SC(=S)N1Cc1ccco1 2296592813 DRAUVCTUSWGKMZ-UHFFFAOYSA-N 444.921 4.654 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1 2296755463 ASRUIQFFCGFIKA-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(Cl)cc1Cl 2296807613 FYXSDHYVOUZMPV-UHFFFAOYSA-N 429.375 4.895 10 10 IJCE O=C1C(=CNc2ccc(F)c(Cl)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 2297325357 MGBNMECYXDZSPU-UHFFFAOYSA-N 428.729 4.648 10 10 IJCE Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 2297468062 DQHSCXROZBGPAE-UHFFFAOYSA-N 445.529 4.802 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2297469223 IJOVNCYVRSYQOP-UHFFFAOYSA-N 445.470 4.892 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094417 DALAUBQCZGPGRE-UHFFFAOYSA-N 434.879 4.590 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1Br 2352940717 HJZFQLHUOCLYKH-LSDHHAIUSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381140577 MQIXGBYIKLSIBA-INIZCTEOSA-N 439.394 4.732 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 35640495 SNEMLAXOCZHJQA-UVTDQMKNSA-N 426.441 4.528 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nc2ccc(F)cc2s1 39874947 OIHCTDHTZDGFQS-YBEGLDIGSA-N 443.550 4.665 10 10 IJCE CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 251321594 GXYALKQQGPNYBZ-QYNSMDLWSA-N 434.536 4.975 10 10 IJCE Cc1occc1C(=O)NC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 727428842 YBSQYPRHNTYLNK-UHFFFAOYSA-N 443.341 4.604 10 10 IJCE Cc1cccc(-n2c(C)cc(CNC(=O)CCCc3nc(O)c4ccccc4n3)c2C)c1 1462079225 IEABJAWOXSDVML-UHFFFAOYSA-N 428.536 4.690 10 10 IJCE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684684 ULEWMVLQHMMMSH-LCYFTJDESA-N 441.305 4.828 10 10 IJCE CC(C)COc1ccccc1C(=O)NCc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1860881859 XIKCICGQMLXKES-UHFFFAOYSA-N 445.563 4.970 10 10 IJCE CC(C)(C)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1I 2078995248 UECHRNHHGCPQKD-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE Cc1ccc(OCCOCCOc2cccc(C=C3SC(=S)N(C)C3=O)c2)cc1C 2293500020 BUVCMCHJRHTNNJ-UHFFFAOYSA-N 443.590 4.609 10 10 IJCE Cc1ccc(CNC2([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(O)c1Br 2381129170 GIYVDWVVKQUKQU-INIZCTEOSA-N 439.394 4.732 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 1101747 BRXMBGITQONWKG-RZZUAFPKSA-N 448.563 4.563 10 10 IJCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 12507935 AGWMIHVZJCWUGQ-UHFFFAOYSA-N 442.349 4.876 10 10 IJCE CC1CCN(C(=O)/C(Cc2ccccc2)=C2/SC(=S)N(c3ccccc3)C2=O)CC1 39793805 CFSYSDLOVJNVOQ-QZQOTICOSA-N 436.602 4.807 10 10 IJCE CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)O1 58833715 PFBOXMSVGMZOLL-UHFFFAOYSA-N 438.819 4.655 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cncc(Br)c1 1652476793 SDXUQOPAIYUKBM-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(C)cc3c2=O)sc(C)c1-c1ccccc1 1866068947 BRROZEGSSZZVOH-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951860120 NJJHWJJRPBWWBI-HSZRJFAPSA-N 447.487 4.788 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1c(O)cccc1F 1958763011 LNNCNGFCMXNKFE-QHCPKHFHSA-N 435.451 4.928 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079034843 UAPOLIZGWRUIIF-INIZCTEOSA-N 440.325 4.857 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2168785982 FPUICKOQBGHUSC-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE COc1cc(C=C2SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc(OC)c1OC 2313503149 UOZQMZKYWBBBRJ-UHFFFAOYSA-N 444.578 4.600 10 10 IJCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)cc1Br 2357091634 NCDIFCIEJUYIPT-SQMWVJLWSA-N 429.402 4.989 10 10 IJCE Cc1ccc(CN2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(O)c1Br 2380783735 PENWQPOPUYRSJZ-CTNGQTDRSA-N 429.402 4.950 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H]3CC[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131174 JVXPHOUHDFHJJI-XJNFMUPTSA-N 439.394 4.635 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15039189 YUOFAJFLUFJBJR-PDGQHHTCSA-N 446.981 4.974 10 10 IJCE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N(C)C)cc1 18215063 VXCPGAXMSLRKGX-HXUWFJFHSA-N 436.383 4.520 10 10 IJCE CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 23424505 DOEBOPDPCYGFGQ-SFHVURJKSA-N 433.508 4.545 10 10 IJCE COc1ccccc1NC(=O)CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S 33417387 MIGRLCPSTXWCEL-UULHFOEUSA-N 438.574 4.872 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526292777 KJRUJLJUMYKYCF-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708075034 FZYHQFSBRLUBPO-WFASDCNBSA-N 447.801 4.981 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(ccc5ccccc54)c3=O)cccc21 1866077228 LVGCMDBCRQXYNI-UHFFFAOYSA-N 444.446 4.709 10 10 IJCE CC1(C)C[C@H](CNCc2c(O)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2115929879 YQEGIHXESXEHPC-CQSZACIVSA-N 427.383 4.528 10 10 IJCE CC(C)[C@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 2274264567 PHNXMPIFSOGYRD-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE COc1ccc(C=CC(=O)N2c3cc(CN(C)C)c(O)cc3C(C)=CC2(C)C)cc1OC 2293254901 FFYZSTHWUADPBS-UHFFFAOYSA-N 436.552 4.713 10 10 IJCE Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2293689653 BDWHTHHOKYGGIU-UHFFFAOYSA-N 449.510 4.660 10 10 IJCE Cc1cccc(N2C(=O)C(=C3C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 2313617630 SMDUWHXVGZGBMD-UHFFFAOYSA-N 449.601 4.561 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)O 2314932473 MTZAJLQYESPTEQ-CQSZACIVSA-N 443.546 4.570 10 10 IJCE COc1ccccc1-n1c(C)cc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1C 2329538988 ITBGVDHPPWFDQW-UHFFFAOYSA-N 429.564 4.574 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc([N+](=O)[O-])cc2)cc1 2332147987 FQCRYEXRUJXWSE-UHFFFAOYSA-N 427.460 4.742 10 10 IJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 16911408 OZXGLHJGYYCUKA-CXUHLZMHSA-N 437.901 4.738 10 10 IJCE Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2cc(Br)ccc2O)c1 27532263 KEXWQVJZRBSKGB-UHFFFAOYSA-N 436.309 4.584 10 10 IJCE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 205951361 ULHIZDHXSUISFE-NCELDCMTSA-N 441.531 4.561 10 10 IJCE Cc1ccc(COc2cccc(/C=C3/SC(Nc4ccccc4C(N)=O)=NC3=O)c2)cc1 208334610 PQGMXZILVTWSCG-HYARGMPZSA-N 443.528 4.755 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226744763 AOBHQDCUPNLYNE-UMEGOILYSA-N 434.536 4.929 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3cccc(COc4ccccc4)c3)CC2)cc1 726609463 AIONCAWNTYBPSW-UHFFFAOYSA-N 445.563 4.742 10 10 IJCE CC(=O)c1c(C)cc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1C 1166761864 JKVKZYOBLATWES-UHFFFAOYSA-N 433.504 4.946 10 10 IJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1858683033 WZQNLRHXFZOPGO-UHFFFAOYSA-N 447.278 4.599 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654035 GBHDDMSWUDTWDN-CIAFOILYSA-N 434.879 4.590 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1OC(F)(F)F 1891475998 NPQDNJJILWHFDQ-UHFFFAOYSA-N 436.383 4.788 10 10 IJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951860121 NJJHWJJRPBWWBI-QHCPKHFHSA-N 447.487 4.788 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1ccccc1O 1984692444 NYFVFDMRTFJNCD-ZWKOTPCHSA-N 444.531 4.839 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2210542386 XIQBFTZSHYTNAU-DNVJHFABSA-N 447.539 4.897 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 2296756240 QGCWDBKKBREGMC-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CN(C)c1ccc(N=Nc2ccc(N3CCOCC3)c3c2C(=O)c2ccccc2C3=O)cc1 2297710704 GNFQXWJSIHCQQD-UHFFFAOYSA-N 440.503 4.780 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314828079 QDGXHJUTSIJAFF-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)ccc1O 2332094914 VCONQEACPFUOMC-UHFFFAOYSA-N 428.488 4.630 10 10 IJCE CCOCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 13641608 HRPQZWBYLPQOAP-IUKKYPGJSA-N 425.525 4.954 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N2O1 20236445 UXUOHLMWNSUXBW-POLMPROESA-N 431.492 4.602 10 10 IJCE CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 23424500 DOEBOPDPCYGFGQ-GOSISDBHSA-N 433.508 4.545 10 10 IJCE CC(=O)c1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1 33659249 IGANKJYUQMTHSV-LFVJCYFKSA-N 445.494 4.504 10 10 IJCE CCCCCCOc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1OC 40942097 ZETCXHBOSKKNRO-UVTDQMKNSA-N 430.389 4.906 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)c1 526251198 ADNPDQAOKCIAAW-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 687243878 NYJSUQKLZCCRQM-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 720826247 DOOUNSPDBPWCLA-KPDCDPCYSA-N 428.418 4.688 10 10 IJCE c1ccc(-n2cc3c(n2)CCC[C@@H]3NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 794817851 PTNDTBHQDAXHTD-MHZLTWQESA-N 441.623 4.572 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c(OC)cc1Cl 1860084120 FIMNLWYRXKTIIL-GIJQJNRQSA-N 434.970 4.829 10 10 IJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1 1860087566 GRZPCUZYOOHFND-FRKPEAEDSA-N 436.352 4.872 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)cn2)sc(C)c1-c1ccccc1 1860747324 DSXYRVPYPBVLFS-UHFFFAOYSA-N 443.912 4.526 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664507 PUDIAXHHHXTJRT-DEDYPNTBSA-N 434.879 4.897 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1 1872884457 STHAIXYHHLKVEU-UHFFFAOYSA-N 435.955 4.923 10 10 IJCE COc1ccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1951651552 JQHQERPKVDJWPG-QHCPKHFHSA-N 447.487 4.845 10 10 IJCE CC(C)(C)OC(=O)N1CC(c2csc(=NCc3cc(Cl)cc(Cl)c3O)[nH]2)C1 2201942272 QHUPHHVKYXZCBY-UHFFFAOYSA-N 430.357 4.524 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)cc1I)CCCC2=O 2231665204 PBGDDMBXWRGOAM-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)ccc2O)C[C@H]2CCCC[C@H]21 2240957790 NGLREDKWUOZWSY-FHLIZLRMSA-N 439.394 4.813 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2cc(Br)cc(F)c2O)CC1 2295260815 OIPIGJBETSQCHZ-CQSZACIVSA-N 445.373 4.811 10 10 IJCE CSc1nc2ccccc2n1C(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S 2296702687 RTMQQODYMJEKEQ-UHFFFAOYSA-N 445.616 4.751 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)CC1 2323858200 RKJCMFWEXMCZNZ-UHFFFAOYSA-N 426.563 4.662 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Br 2381144226 XQSQQAZSCLBKAX-GVDBMIGSSA-N 439.394 4.588 10 10 IJCE Oc1cccc2c1[C@H](Nc1ccc(Br)c(I)c1)CC2 311625000 AIUZSPUNULYYHP-CYBMUJFWSA-N 430.083 4.859 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 323372077 DPCIGMYWTVFCOA-VMSUTVGLSA-N 429.358 4.505 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc(O)nc4ccccc34)cc2Cl)C1 800710892 BJZUSEPTMBEMBG-INIZCTEOSA-N 438.959 4.830 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOc1ccc(F)cc1 915838519 FHOWXJXYALDZQQ-XSFVSMFZSA-N 447.553 4.903 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 1460181295 YASJLDRZDZZKDL-OXJNMPFZSA-N 436.980 4.860 10 10 IJCE CC(=O)N1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 1525998064 MKXPDSZHQDLEGT-HSZRJFAPSA-N 435.955 4.904 10 10 IJCE COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 1614238867 MKOVKWOBZPHTNJ-ITTZRFAVSA-N 443.546 4.510 10 10 IJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 1860073617 YFMKRGVNKMKKEZ-XSFVSMFZSA-N 426.563 4.710 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1c(O)cccc1Br 2127859210 FONXGZQHBOPUBF-KRWDZBQOSA-N 427.383 4.670 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@H]2CCCC[C@@H]21 2179392431 IFZBTZLXHHPICD-DAYGRLMNSA-N 439.394 4.670 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O 2297200018 DEULKUSFNRNTGK-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE COc1ccccc1N1C(=O)C(=Cc2ccc(N(C)C)c(Br)c2)SC1=S 2297366721 GXSGRVYGNGGPMQ-UHFFFAOYSA-N 449.395 4.930 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccc(O)cc2)cc1 2332099580 IVQYQKXYLRFHGO-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1ccccc1F 2332134516 FWYHUYXESWNFIJ-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C)c(Br)c1O 2381136459 GNTLJQNGJCNASM-IAGOWNOFSA-N 441.410 4.978 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 1101749 BRXMBGITQONWKG-NHMXVPMISA-N 448.563 4.563 10 10 IJCE O=C1N=C(O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccc(F)cc1 38177493 SYGXNPLPDNIYAW-CHHVJCJISA-N 428.217 4.576 10 10 IJCE CN1C(=O)/C(=C(/Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)SC1=S 39793813 MZJNALPVVBVZTR-DTQAZKPQSA-N 436.480 4.631 10 10 IJCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(C)cc12 103525188 KWVLVVSCPIWTLG-PXLXIMEGSA-N 429.549 4.915 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C\C(=O)O)cc1Br 383326341 LWGXUULREVZOFD-IBHIWXBSSA-N 429.358 4.505 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1 745850891 YYUAEIBYDRMBRS-NFBKMPQASA-N 428.646 4.819 10 10 IJCE CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccc(NC(=O)/C=C\c2ccc(C)nc2)c1 754150139 YCFXFMLGKPTRSS-PMJBJKLVSA-N 426.520 4.812 10 10 IJCE Nc1ccc(N(C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)C2CCCCC2)cc1 784060214 AIAKIKYJVYMQLX-UHFFFAOYSA-N 435.446 4.514 10 10 IJCE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 1088671146 OYDLFMFAAKNODJ-PLRJNAJWSA-N 427.548 4.620 10 10 IJCE Brc1cc(CNCCCN2CCc3ccccc3C2)ccc1N1CCCCC1 1308197394 PYKXCHOAANMRKF-UHFFFAOYSA-N 442.445 4.977 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1OCC 1860086791 HQYFYWHRCWRCIV-YBFXNURJSA-N 431.535 4.604 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1C 1871343179 UMBQIAWQKBBTAZ-UHFFFAOYSA-N 444.578 4.568 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(C3CC3)C2=O)cc1 1873166705 XDWGLEBQFNCCDL-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE COc1ccc(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c(O)c1 2079792248 YAYYAYNWIWMGSJ-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccccc32)c2ccccc21 2297318874 JEYFBIHYNZVOLM-OALUTQOASA-N 427.548 4.948 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C)cc2C)C1=O)C(=O)O 2314932880 PPRPFDPVEATRFO-QGZVFWFLSA-N 427.547 4.951 10 10 IJCE Cc1ccc(CNC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352693070 OEPJAQYAKJBIMZ-FQEVSTJZSA-N 427.383 4.590 10 10 IJCE Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)[C@@H](C)SC3=S)s2)c1 11636551 YEWGRKMDPXLZSN-OAHLLOKOSA-N 447.651 4.790 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639446 MNBALNTTYRYHIB-UEXGIBASSA-N 427.342 4.652 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13645204 RQQBBQZQABGLOZ-UMFSSWHCSA-N 432.612 4.651 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2)N1CCc2ccccc21 36550958 HNEIPQCQUGHJHU-MCEYFSPLSA-N 444.556 4.970 10 10 IJCE O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 40945843 UAFBKAAAVXAUEK-UHFFFAOYSA-N 430.294 4.826 10 10 IJCE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1F 743599983 YALFOKJRLXCXQG-AVRDEDQJSA-N 432.609 4.616 10 10 IJCE Cc1cc(CCNC(=O)N(C)Cc2nc(C(F)(F)F)cs2)c(C)n1-c1ccccc1 746414080 SGEISVHTGURHGN-UHFFFAOYSA-N 436.503 4.954 10 10 IJCE Brc1cc(CNCc2cccc(Cn3ccnc3)c2)ccc1N1CCCCC1 1473926883 MSAVGZVPOWZCMO-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE CC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cc1 1539360805 HQECTYDGKXNKNJ-UHFFFAOYSA-N 435.281 4.614 10 10 IJCE CCOc1ccccc1NC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 1872884306 QAHHUGVJYFWNHN-UHFFFAOYSA-N 445.563 4.668 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](NCc2cc(Br)cc(F)c2O)C1 1966034293 RAHGUJDAYJSVIT-MRXNPFEDSA-N 443.357 4.563 10 10 IJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1Br 2080042557 IGFZCZWGCIXUGA-KRWDZBQOSA-N 449.345 4.587 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3ccc(Br)cc3O)CCC[C@@H]12 2165301593 HXVWHILLHOAGDL-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2186713659 XIQJBJWRSCJMKK-IFXJQAMLSA-N 443.307 4.756 10 10 IJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2293823886 WPMUVFPGHHFTAS-UHFFFAOYSA-N 441.270 4.915 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 2294581283 ABASRYLJKVJDIQ-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CCOc1cc(C=C2SC(=S)N(Nc3nc4ccccc4s3)C2=O)ccc1O 2314818470 GRCVEOLFDYPUJW-UHFFFAOYSA-N 429.548 4.629 10 10 IJCE Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)CC23CCC3)c(O)c1Br 2380813244 DWXJIOFKAHYDRE-FQEVSTJZSA-N 429.402 4.998 10 10 IJCE Cc1ccc(CN[C@@]23CCC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)c(O)c1Br 2381133026 JBZKSXNTVATSJL-QVKFZJNVSA-N 439.394 4.732 10 10 IJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15046736 OIGRSCCCOJVBCN-UEMWTREESA-N 432.954 4.577 10 10 IJCE O=C1N=C(O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc2c(c1)OCO2 33316229 CXSFAYVKKJMVRS-YBEGLDIGSA-N 436.807 4.835 10 10 IJCE Cc1cc(I)cc([C@@H]2N=C(O)c3c(sc4c3CCCC4)N2)c1O 35668928 CNVCRDQZABTNOP-OAHLLOKOSA-N 440.306 4.674 10 10 IJCE COCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S 38732424 SLOMSXXCOBOXFO-RGEXLXHISA-N 441.622 4.627 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 100147816 OMOOVDXZQGDSLQ-QJOMJCCJSA-N 443.459 4.859 10 10 IJCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2)c(C)c1 103703955 JLGAMUWZIDMDHH-NCNWTYLVSA-N 433.533 4.928 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 226739536 YFVIWWKOABGUEL-XITLKHQFSA-N 444.984 4.624 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Br)ccc1O)C1CCCCC1 381571018 GQYRFZLZNCIVFW-QGZVFWFLSA-N 427.383 4.718 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 702096061 DOOUNSPDBPWCLA-HCLVMJGWSA-N 428.418 4.688 10 10 IJCE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 715714134 VRNRTZMDQBZSPR-ZUOKHONESA-N 445.373 4.857 10 10 IJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(Br)c1 726568071 VCRSUJLKFHGWIE-UHFFFAOYSA-N 431.302 4.511 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 767888195 PRPVJPZZRMMWJZ-UHFFFAOYSA-N 435.505 4.835 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1O 1171876229 WJSHXXWHIDBLRN-IFMALSPDSA-N 442.531 4.617 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 1467183741 HCAUSGDLBJFGAL-UHFFFAOYSA-N 448.386 4.527 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(I)cc3)c2C)cc1 1540428722 MGMVDYAGVNVFTQ-UHFFFAOYSA-N 446.288 4.960 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873168558 ZNVNFKWVKDPLKG-QGZVFWFLSA-N 445.538 4.901 10 10 IJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873170055 MTTNPWWDYMJZCK-UHFFFAOYSA-N 447.966 4.680 10 10 IJCE CN1CCCc2cc([C@H](N)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044757311 WUNPBRRAQXVPBJ-DHIUTWEWSA-N 439.600 4.569 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080012731 SXLBUPAEEUJBPG-IBGZPJMESA-N 449.345 4.803 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2Br)cc1C 2080030835 SOCVRPFCQOVGMS-ZDUSSCGKSA-N 433.224 4.684 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314650444 HJMHJFVHXNPNIQ-MRVPVSSYSA-N 428.318 4.928 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1OC 2321663926 RVQVMIUJWCZMSW-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c(O)c1Br 2381143895 VUJYAXCVOJVYKN-QAPCUYQASA-N 441.410 4.977 10 10 IJCE CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC 33420343 YEFVDCLKNNAPJL-OVCLIPMQSA-N 435.307 4.561 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)c(I)c1)CCCC2=O 381833593 QEIMJIHFNIUPEF-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(Br)ccc1O 389795855 UEKWLQPBAJPBMJ-RRQGHBQHSA-N 427.383 4.841 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526215364 ULNGNUKYNOSGRR-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCc1cc(Br)cc(F)c1O 715815729 ZMTULROKHVTIHW-JKSUJKDBSA-N 431.346 4.609 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1O 1191710624 ARNBIVOYKKADII-UHFFFAOYSA-N 441.742 4.513 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)[C@H](C)C(=O)N2 1859572240 TXSFWFJMRUXCLX-JTQLQIEISA-N 433.942 4.628 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)c(C)c1 1859572670 YOBPDZJLALUARV-UHFFFAOYSA-N 441.578 4.811 10 10 IJCE COc1cc(OC)cc(C(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 1859889028 DZXNPHDIIZAFOQ-UHFFFAOYSA-N 429.472 4.534 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccccc1C(F)(F)F 1860720946 CPYRMYWMOQQVIM-UHFFFAOYSA-N 437.643 4.555 10 10 IJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O 1865676034 NBGSXDFHHKNKEE-HAVVHWLPSA-N 426.472 4.564 10 10 IJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 2053512953 DSEMKYVYSDKRMA-AWEZNQCLSA-N 446.506 4.618 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=O)N[C@@H](C)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059009093 ZKTWKZMPKUKIIC-XOJPNPCRSA-N 440.975 4.851 10 10 IJCE CC1(c2c(C3CC3)nn(Cc3c(O)cccc3Cl)c2I)CC1 2079736985 JGEQCTKXDBQXQD-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE N=C1S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N1c1nccs1 34871538 PSYPAVVACJZRSK-VYUZCOAASA-N 431.882 4.810 10 10 IJCE COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1 100712874 RWGAQBRGPLFKRX-FPDKYURTSA-N 428.492 4.575 10 10 IJCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 773744922 GHYZVSJLRWSCAN-CYBMUJFWSA-N 447.466 4.679 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1O 1307566393 ZKNLDHUZLFHLEQ-UHFFFAOYSA-N 439.314 4.891 10 10 IJCE CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)COc1ccc(N)cc1 1860083460 PAWLSOANQALKPG-UHFFFAOYSA-N 440.521 4.590 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c(OC)cc1Cl 1860084131 FTRJORZAUYLFOE-FRKPEAEDSA-N 436.898 4.671 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(F)c2)sc(C)c1-c1ccccc1 1860747763 VJPLQFDRAAOQMU-UHFFFAOYSA-N 426.469 4.617 10 10 IJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccc(C)cc1 1862313393 VRQKLAMAEPNTFJ-UHFFFAOYSA-N 446.595 4.553 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)[C@H]1C(C)(C)C 1877293526 ZUVLFFYIPBYXPC-RDJZCZTQSA-N 427.383 4.668 10 10 IJCE CN[C@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)c(Cl)cc21 2034744471 YHRANIXTQHMGDK-RUZDIDTESA-N 448.998 4.691 10 10 IJCE Cc1nn(Cc2cc(Br)ccc2O)c(I)c1C1CCC1 2079673878 DOIGLSCJOGQRLX-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163333848 JVHCRLCWLHKIQU-JPYJTQIMSA-N 428.418 4.832 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3c(O)cccc3Br)CCC[C@H]12 2165301267 IGPQKWDGZVHVFV-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE C[C@H](Nc1ccc(Br)cc1I)c1c(O)cccc1O 2231654933 GNNHKKUOMMRTEZ-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2293700643 SGBFOKFFNWJOAV-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 2296566882 XNSIGROBMDJVNZ-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CCCN1N=C(c2ccccc2)C(=Cc2cc(Br)c(OCC)c(OC)c2)C1=O 2332125770 OBBYQZBJPHXAOJ-UHFFFAOYSA-N 443.341 4.896 10 10 IJCE Cc1cc(I)cc(NCc2ccc(C)c(Br)c2O)c1 2352684233 PFWDIHBMYCXJAZ-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 40844434 PSUAAOFBHSAQFV-YBFXNURJSA-N 444.553 4.569 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705618749 LLSUWSBSBPTVLK-OYRHEFFESA-N 428.418 4.517 10 10 IJCE O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)Nc1ccnn1C1CCCC1 784488066 FFCQVQDXAISMOE-UHFFFAOYSA-N 433.468 4.915 10 10 IJCE COc1ccccc1CN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858588790 BIUKAZJRYZELKE-CXUHLZMHSA-N 438.343 4.998 10 10 IJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 1858682211 GSRQFEHMGHSGRM-UHFFFAOYSA-N 447.278 4.599 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668222 MRPYTIJDHOWGLK-XQNSMLJCSA-N 428.488 4.855 10 10 IJCE CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 1865679913 MUDZNDKSTCJPRV-VGOFMYFVSA-N 435.307 4.908 10 10 IJCE COCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1 2034745245 IMHSTRUVIKIMEJ-UHFFFAOYSA-N 435.587 4.700 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1 2296398112 UMCBFAFDBAJIDI-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE COc1cccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1OCc1ccccc1 2296909360 ARFRUENRCVAUGT-UHFFFAOYSA-N 442.471 4.779 10 10 IJCE O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 2297561531 JLOCANMWSTWVNX-UHFFFAOYSA-N 426.302 4.834 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CNc1cc(Cl)ccc1Cl 2313501791 CMHOQKIGNOGZPU-UHFFFAOYSA-N 439.345 4.993 10 10 IJCE Cc1ccc(CNCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352695241 ZIAFNJYXOGLXIV-UHFFFAOYSA-N 427.383 4.590 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@@H]21 20702861 ZWZDGFFOLZEJFV-YDIMBITNSA-N 434.536 4.977 10 10 IJCE O=C(CC1CCCCC1)NCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 109813584 UJINFQGACFASSH-HHHXNRCGSA-N 430.548 4.838 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 206863966 MGMUFRMEUOHCJP-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1Cl 1656901350 HUMQPTBOQUQJTK-UHFFFAOYSA-N 439.895 4.983 10 10 IJCE CCCN1N=C(c2ccccc2)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 1865675895 GBTWTJSLFDURCE-XLNRJJMWSA-N 440.499 4.954 10 10 IJCE COc1cc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)ccc1OC(=O)c1ccccc1 1865676053 NZURXKZRSCBRPF-BOPFTXTBSA-N 446.425 4.714 10 10 IJCE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cc(Br)cc(Br)c1O 1952075139 NHXQTONSWKJBLX-CYBMUJFWSA-N 449.139 4.558 10 10 IJCE O=C(N[C@]1(c2cc(Cl)ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952774427 HGRKNWARWOYAPE-BWKNWUBXSA-N 449.890 4.884 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@](NCc2cc(Cl)cc(Cl)c2O)(C(F)(F)F)C1 2159811939 YYRBFYGIUUSQIQ-MRXNPFEDSA-N 429.266 4.731 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 2293299458 NQMKKSNHNOROOT-UHFFFAOYSA-N 443.532 4.749 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCCCOc1ccc(Cl)cc1 2293500076 SWJRUCFPYDZIMR-UHFFFAOYSA-N 448.906 4.649 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1cc(C)ccc1C 2297347358 XUKWBTKSVGTTRM-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1 2321591076 QZAKEQMWNLZRKK-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323777580 KKQISQRLOVOBDT-LJQANCHMSA-N 427.547 4.576 10 10 IJCE Cc1ccc(CNC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381133937 VIYLGGGCBYROOD-MRXNPFEDSA-N 441.410 4.978 10 10 IJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 15044293 ZSNDVGOCQAJWPQ-JXAWBTAJSA-N 430.551 4.689 10 10 IJCE CN(C)c1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 33297848 VZNONKROTXKEDL-UHFFFAOYSA-N 435.640 4.714 10 10 IJCE COc1cccc([C@@H]2CN(Cc3ccccc3O)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 248266642 ZOVRWWPLUBEOTM-ZCYQVOJMSA-N 438.612 4.757 10 10 IJCE Cc1cccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 1084098908 ZMVJPSGVYZVKCD-RGEXLXHISA-N 446.503 4.544 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1858087143 PNUQIXBJHMMRIO-RUZDIDTESA-N 436.502 4.844 10 10 IJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1 2079858525 RDPFBMMDZKGZAD-AWEZNQCLSA-N 435.240 4.827 10 10 IJCE CNCc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145265956 GMKKONPQQWLDJG-NFBKMPQASA-N 428.418 4.659 10 10 IJCE Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C 2297559163 XETVCRMIEMVFSH-UHFFFAOYSA-N 437.839 4.586 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c1 2321683345 GHYDFQKTUSJJIW-UHFFFAOYSA-N 432.954 4.598 10 10 IJCE Cc1ccc(CNC2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352932166 IYAPCXKOZDXAQO-UHFFFAOYSA-N 427.383 4.779 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccccc1 15045230 XFLNSEBGXQYORS-JXAWBTAJSA-N 430.620 4.826 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 33383747 OTLHZTLPNSOWNC-NVMNQCDNSA-N 442.949 4.629 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 98071280 LZRZLOMNBNLLEJ-SANMLTNESA-N 445.563 4.562 10 10 IJCE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118913538 CXCNNXQZTWDFHG-UXWVVXDJSA-N 433.593 4.767 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N[C@H](Cc3nccn3C)c3ccccc3)c2C)cc1 742858159 LDIJCLLLKFYELM-XMMPIXPASA-N 428.536 4.550 10 10 IJCE Cc1cc(Br)c(O)c(CNc2ccc(C(=O)N3CCSCC3)cc2C)c1 789890671 PWYHLKKIGZOYGI-UHFFFAOYSA-N 435.387 4.573 10 10 IJCE C/C(=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 1444505764 KJSQSBPONJOICC-DKXPKDADSA-N 441.547 4.677 10 10 IJCE CC(=O)c1cc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cs1 1627271842 JJHSSZHJFAWMJR-UHFFFAOYSA-N 441.310 4.675 10 10 IJCE c1cc(Cc2nnc(N3CCCCCCC3)n2CCCSc2nccs2)ccn1 1722476905 LXFQNPYWAHLMKR-UHFFFAOYSA-N 428.631 4.673 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1c(O)cccc1OC 1976858481 OGJMTOZKDXVCTF-DEOSSOPVSA-N 447.487 4.798 10 10 IJCE COc1ccc(Cn2nc(C3CCC3)c(C3CCC3)c2I)c(O)c1 2079832643 XSGABEGNDQXYBW-UHFFFAOYSA-N 438.309 4.785 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 2313683299 WTSWYSZNPSVTNU-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE Cc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(O)c1Br 2352953067 RVHCQNJYJVHUPM-MRXNPFEDSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c(O)c1Br 2381131884 SYQRWCIREJBQBS-MRUHUIDDSA-N 439.394 4.588 10 10 IJCE C[S@@](=O)Cc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 11967376 UMJRVTZWHMEWGS-NJHZRGNWSA-N 429.541 4.943 10 10 IJCE Oc1cccc2c1[C@@H](Nc1ccc(I)cc1Br)CC2 311906171 QMHVSPNHYMTVSC-ZDUSSCGKSA-N 430.083 4.859 10 10 IJCE Cc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CCC2=O)cc1C 760564111 VFRUUMYAHFXPIY-OAQYLSRUSA-N 432.520 4.574 10 10 IJCE CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(NC(=O)/C=C\c2cncc(C)c2)cc1 772144561 YCUWFIAKKPSMJS-JTAXDKCCSA-N 426.520 4.812 10 10 IJCE Brc1cc(CNc2cnn(Cc3ccccn3)c2)ccc1N1CCCCC1 1200058121 UIOUSYJQIILJSM-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1O 1473418415 IGBBGETUAMZGMH-OAQYLSRUSA-N 446.494 4.667 10 10 IJCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1624670869 OLSAWRRNACQDGS-JOCHJYFZSA-N 439.353 4.787 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 1857992793 XJNCIHIUGIMVDJ-UHFFFAOYSA-N 431.561 4.677 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 1865667775 OUPILUQPPLXZDT-GZTJUZNOSA-N 428.916 4.948 10 10 IJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)c1 1873422663 IRVTWBJUFGNDSE-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2164517374 ZFNCTYKRCMYPFI-IYYQDKMGSA-N 439.394 4.887 10 10 IJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2297057187 QUUZEPZSWHOPJD-UHFFFAOYSA-N 426.856 4.570 10 10 IJCE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 2313510686 FDBVIIYSEPZMRX-UHFFFAOYSA-N 446.330 4.917 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)NCc3ccccc3)C2=O)cc1 2314827454 FIIOXEVWEYPQLP-UHFFFAOYSA-N 438.618 4.892 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccs2)SC1=S 2314837106 OIEBDMNZNSBPLE-SNVBAGLBSA-N 442.509 4.995 10 10 IJCE Cc1ccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(O)c1Br 2327802180 XTBIRTVQUUAWCO-SFHVURJKSA-N 447.373 4.602 10 10 IJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 2332120562 AKXCRIJPFWYMSY-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc(F)cc1 15035580 WXQCOUAOVRLIAM-ZSOIEALJSA-N 441.336 4.972 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C3CCCCC3)=NN12 32964466 YFYJNTIKFBRUTM-ZKEXVTLTSA-N 448.508 4.585 10 10 IJCE Cc1cc(C)cc(OCCOc2ccc(C)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33370726 FQLBORHFUITWNL-ULJHMMPZSA-N 442.515 4.531 10 10 IJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 34139116 CEDILOLVJVLNQV-ZHZULCJRSA-N 426.428 4.853 10 10 IJCE Oc1c(F)cc(Br)cc1CNc1ccc(I)cc1F 715818706 QKSHGQLAPLAULY-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 791884256 KSDZZUBKYZMAKI-WXLQCLSTSA-N 448.557 4.529 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1O 1620414044 OLOHHFMDRADQMT-GOSISDBHSA-N 434.552 4.593 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OCC 1858588017 MMIVTFYQELGXGK-XSFVSMFZSA-N 429.563 4.634 10 10 IJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2C1=O 1859446404 JBVCPWMFQXFOJN-UHFFFAOYSA-N 441.531 4.930 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 1860085124 OUJPYPPJJFHSFW-XSFVSMFZSA-N 440.590 4.648 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccccc1 1860645609 BFONCVYSSLBXIM-SFHVURJKSA-N 442.581 4.733 10 10 IJCE COc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1Cl 1860715415 IXVUBOSHMVZAOX-UHFFFAOYSA-N 448.144 4.589 10 10 IJCE O=C(N[C@@]1(c2c(O)c(Cl)cc(Cl)c2Cl)C[C@@H]1C(=O)O)OCc1ccccc1 1952761730 SDCNJOSLPXPDNH-MGNBDDOMSA-N 430.671 4.579 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2188888219 VNTYEQXBOFOPFC-OFNKIYASSA-N 428.418 4.658 10 10 IJCE COc1ccc(Br)c(CNCC2(N(C)Cc3ccccc3)CCCC2)c1O 2236056313 UWPCHJMJPRZVDO-UHFFFAOYSA-N 433.390 4.698 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280272896 NMOBYMWQESUXSS-LLVKDONJSA-N 445.142 4.710 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1 2323879565 GICYLOOUUSROBJ-UHFFFAOYSA-N 438.618 4.951 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)cc(Br)c2O)C2(CC2)C1 2336288492 ZJVZUBZCDUGZMB-ZDUSSCGKSA-N 445.785 4.545 10 10 IJCE Cc1ccc(CN[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c(O)c1Br 2352951285 FNANXYACICZDMV-HXUWFJFHSA-N 429.399 4.882 10 10 IJCE CC[C@@H](C1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 205697219 SVWISZBRWILCKY-PBQMZCPFSA-N 442.500 4.606 10 10 IJCE C[C@@H](Nc1cc(I)ccc1Br)c1c(O)cccc1O 388625756 JOUBZAWLLABNRC-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE COc1cc(N(C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)cc(OC)c1OC 754656852 FEXUTEWDRQAYSA-UHFFFAOYSA-N 428.554 4.560 10 10 IJCE Cc1ccc(N=NC(Cl)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1080252061 SNQRPZYOKPKOGL-UHFFFAOYSA-N 448.953 4.877 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865674064 MILSLKKQPXCHBP-HZHRSRAPSA-N 426.472 4.532 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 1865674865 BOSUDJFGPSGTRK-UNOMPAQXSA-N 434.879 4.897 10 10 IJCE COC(=O)c1c(NC(=O)/C=C\C(=O)NCc2ccccc2)sc(C)c1-c1ccc(C)cc1 1866263925 JKUHUTVTVUNRKB-YPKPFQOOSA-N 448.544 4.630 10 10 IJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873424250 OKQHXRKZYQDUQE-UHFFFAOYSA-N 429.520 4.703 10 10 IJCE O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Br)c(F)cc1F 1892106625 SJHRFKNYWDWFNN-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1 2297469351 RBCSMBBUBZANEO-UHFFFAOYSA-N 441.944 4.785 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)NCc1ccccc1 2314827333 BUDRXONUJXYFRC-UHFFFAOYSA-N 437.373 4.511 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1c1ccc(Br)cc1 2332144863 UWHCHZHXZUOPIW-UHFFFAOYSA-N 440.175 4.706 10 10 IJCE O=C(NN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=S)c1ccccc1O 33323156 PBAYWIFVQBZAFS-VGOFMYFVSA-N 425.318 4.881 10 10 IJCE CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3)o2)SC1=S 103040382 BKQPGTLVQABRKZ-UWCCDQBKSA-N 431.535 4.800 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1 250499690 DZWFCMAGOOXVNO-JJTGBXKASA-N 446.572 4.687 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 254607458 UZHJBUFQELQCSN-UHFFFAOYSA-N 427.464 4.835 10 10 IJCE COc1c([N+](=O)[O-])cc(N2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1Br 776807832 YIYXDZFAHYIREN-WDEREUQCSA-N 440.250 4.845 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2F)sc(C)c1-c1ccc(C)cc1 1860749240 ZNPOQQLSRACNQS-UHFFFAOYSA-N 444.459 4.674 10 10 IJCE CC(C)(C)c1nn(Cc2c(O)cccc2F)c(I)c1C1(C)CC1 2079773541 KQROJQGVCJABKS-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE CC[C@@H](N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2144841146 GAIBMYAZPFEIKE-PLYYQAHHSA-N 439.394 4.983 10 10 IJCE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2243918107 BCAPSXYWYYNYTP-UZUQRXQVSA-N 447.539 4.851 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 2296755532 JCFBAKRIZVPZRL-UHFFFAOYSA-N 440.590 4.850 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(OC)c1 2321647215 AMTWIQCRQVFVSO-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323718900 OUVUJCNPMCMYQN-UHFFFAOYSA-N 434.627 4.715 10 10 IJCE Cc1ccc(CNC[C@H]2C[C@@H]3CCC[C@@H]3N2C(=O)OC(C)(C)C)c(O)c1Br 2380799492 ZLDFSKQUUHGJKH-UAGQMJEPSA-N 439.394 4.731 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=O)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 96582089 BSXAOQQYQUHMLU-QNGOZBTKSA-N 425.554 4.672 10 10 IJCE Cc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)c(C)n1-c1ccc2c(c1)OCCO2 110679716 LVDOBLWUTFMENY-UHFFFAOYSA-N 435.499 4.857 10 10 IJCE Cc1cc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(C)n1-c1ccc(Br)cc1 792675233 OCSVDRVBQGSWEW-GOSISDBHSA-N 429.318 4.684 10 10 IJCE COC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(F)cc1 1346622024 AITGJNILJULUQF-QHCPKHFHSA-N 425.504 4.584 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1O 1460598761 AYMNZJGHUQDVGQ-UHFFFAOYSA-N 448.538 4.631 10 10 IJCE Cc1cc(=O)c(OCCCOc2ccc(Cl)cc2)cn1CCCOc1ccc(N)cc1 1857916351 PYARKALVMCIMQT-UHFFFAOYSA-N 442.943 4.709 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255629 PVMOSVNNPYFAEG-ZNLUXHQJSA-N 429.402 4.993 10 10 IJCE NCc1cc(F)c(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)cc1Br 2166606734 MNROUGWFRCOPAJ-OALUTQOASA-N 432.381 4.680 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@@H]2CCCC[C@H]21 2241001089 MSWXBPHARZNKAA-JCGIZDLHSA-N 439.394 4.813 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2293069302 NNIWBABHLNDVQI-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1)C(=O)O 2314932855 ZULZWTKLKCCWGD-JTQLQIEISA-N 437.901 4.737 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CNCc1cc(Cl)cc(Br)c1O)C(C)(C)C 2315285801 NPIVPCIXRIQZCV-AWEZNQCLSA-N 435.790 4.837 10 10 IJCE CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469273 GXYALKQQGPNYBZ-XHGXUTKZSA-N 434.536 4.975 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N2O1 20236781 KQSFPKZDFYBGFU-GUOILJMFSA-N 437.883 4.557 10 10 IJCE Cc1ccc(C)c(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2)c1 34871246 ZQQYZGQBBFAKOM-NCNWTYLVSA-N 433.533 4.928 10 10 IJCE CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39882027 RJEGHIKYHPYAOW-CPNJWEJPSA-N 433.474 4.913 10 10 IJCE CN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(O)=NC1=S 59182143 NARUHDACOSMAPM-FYJGNVAPSA-N 425.513 4.940 10 10 IJCE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 701104962 FAIQVPFYLARHJE-BEVDRBHNSA-N 435.351 4.978 10 10 IJCE CCc1ccc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 914333587 IEKVQUHOMCIKGY-RGEXLXHISA-N 444.647 4.951 10 10 IJCE Cc1ccc(C)c(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166472 AIWICEQCTTTYMW-UHFFFAOYSA-N 441.575 4.989 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCc3ccccc3)C2=O)cc1 1873167125 STYYBZCOKVCYEB-UHFFFAOYSA-N 441.575 4.662 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)NCC3CCC(C(=O)OC(C)C)CC3)c2C)cc1 1874159108 XUCNLOGMIOKYTF-UHFFFAOYSA-N 426.557 4.591 10 10 IJCE CC(C)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1I 2079052515 VTHQWNCNMOKPNU-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE C[C@H](O)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2152790795 QKZBGAKGFGPYPM-INIZCTEOSA-N 439.344 4.850 10 10 IJCE CN(C)c1ccc(C=C2CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(N(C)C)cc2)cc1 2296887394 NGMMQSGAOTYTST-RUZDIDTESA-N 426.568 4.599 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(=O)O 2314930127 XWZPQPYUZTVMQI-KDOFPFPSSA-N 427.547 4.891 10 10 IJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 15046051 QLLDPTCEJMSLOL-UEMWTREESA-N 432.954 4.577 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 33926466 GKYUOSALODTUOW-UNOMPAQXSA-N 430.416 4.768 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526223717 RHIKMBHGZWUILR-QHCPKHFHSA-N 447.487 4.789 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc(N4CCCC4=O)cc3)ccc21 728471183 VZROJLHQYDDEHN-SFHVURJKSA-N 433.552 4.522 10 10 IJCE Cc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(C)n1-c1ccccc1Br 733979721 CXGCMTDZEAODMP-UHFFFAOYSA-N 436.313 4.894 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 745910069 AWDYIMFFXNWHSM-XMMPIXPASA-N 431.584 4.536 10 10 IJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cc(C)ccc1C 1862344375 LXLZHZSMTWYARB-UHFFFAOYSA-N 432.568 4.548 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(N)c2I)cc1C 2080005671 MFKGOODKONFLPH-INIZCTEOSA-N 439.341 4.689 10 10 IJCE CCOC(=O)c1c(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)sc2c1CCCC2 2297512611 XNWAUALFTHAELY-UHFFFAOYSA-N 427.501 4.661 10 10 IJCE COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(N(C)C)cc2)cc1C(F)(F)F 96203752 RHNWDHSUYCHNQD-JOCHJYFZSA-N 443.469 4.827 10 10 IJCE CCOc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(Br)cc2C)C1=O 96475900 RCQCJAOWFXIVPF-RVDMUPIBSA-N 429.270 4.663 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl 103919878 APPKUMWZRHEIKK-YBFXNURJSA-N 436.270 4.784 10 10 IJCE COc1ccc(C[C@H](C)N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 1322210874 NHLYVXMJGSGWDV-HKUYNNGSSA-N 447.526 4.538 10 10 IJCE Brc1cc(CNCCc2nnc(-c3ccccc3)o2)ccc1N1CCCCC1 1650807607 MZFTXGKGMQPWKR-UHFFFAOYSA-N 441.373 4.822 10 10 IJCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NNC12CC3CC(CC(C3)C1)C2 1860491934 ZYCOHYGPTQDFAZ-UHFFFAOYSA-N 428.577 4.878 10 10 IJCE COC(=O)c1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1 1865675381 DZCBEJUOAXFTDG-QNGOZBTKSA-N 430.891 4.957 10 10 IJCE COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N)sc(C)c1-c1ccc(C)cc1 1865986354 OQUFZQWERKXXBB-UHFFFAOYSA-N 425.466 4.561 10 10 IJCE CN(C)c1ccc([C@@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044717554 FQYDUILWXDNGMQ-ZEQKJWHPSA-N 440.584 4.630 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(N)c2I)cc1C 2079998315 PHVLHPVASVFAKG-GOSISDBHSA-N 437.325 4.659 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 2293261819 RHWDWMQPCLVGSC-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314932472 MTZAJLQYESPTEQ-AWEZNQCLSA-N 443.546 4.570 10 10 IJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2508992 CODMQALNUOOLQA-CCEZHUSRSA-N 439.400 4.577 10 10 IJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 15046816 KYEWYRJCCYOQEK-WFZKEKFASA-N 438.574 4.870 10 10 IJCE COc1cc(/C=C2/SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c([N+](=O)[O-])cc1OC 33301299 GJZHVYXXDYXZKP-REZTVBANSA-N 433.873 4.656 10 10 IJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 33438343 OSWWNMIAUVYAMS-LNKKFFRNSA-N 436.602 4.602 10 10 IJCE CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 33696390 NDUYBIFXQLPSKV-GZTJUZNOSA-N 448.350 4.700 10 10 IJCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 49593216 DHQNWBXXLQVYDG-FQYHFWRWSA-N 426.929 4.923 10 10 IJCE O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)o2)ccc1Cl 83326517 FHAGMIYIEXIYSY-WJDWOHSUSA-N 436.807 4.805 10 10 IJCE COc1ccccc1N=N[C@@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 252462739 VUMZSHQKPUDQCA-SFHVURJKSA-N 436.453 4.602 10 10 IJCE C[C@@H](Nc1ccc(I)cc1Br)c1ccc(O)cc1O 388508489 IXAIHCDIJWDNIB-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1O 1656988744 LENFNTDXIKPIOC-UHFFFAOYSA-N 441.742 4.513 10 10 IJCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCc2cc(C(C)=O)ccc21 1860484503 QETWPPJPELZEGU-OCEACIFDSA-N 438.528 4.585 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2098555385 IKVTXPVFDBODJC-LLLHUVSDSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cccc(Br)c2O)CC1(C)C 2115821722 WQOZXHKOFSNCBP-AWEZNQCLSA-N 427.383 4.670 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148939119 OIXADVREVDFAHX-YSIASYRMSA-N 428.418 4.817 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1ccc(Br)cc1 2163038803 KIIXOZRPUZVMII-IBGZPJMESA-N 434.378 4.610 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)cc1Br 2180964687 WPBHGRLTICBJTQ-GFCCVEGCSA-N 438.326 4.959 10 10 IJCE O=C(NN1C(=O)C(=CC=Cc2ccccc2)SC1=S)c1ccc(Br)cc1 2296880009 PRSAQKIBFYLCQM-UHFFFAOYSA-N 445.363 4.552 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N([C@H](C(=O)OCC)c3ccccc3)C2=O)c1 2314769977 XMKSFDLGPHGUMJ-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)N(C)C)cc1 2323879984 BYTIWOOODACAPY-KRWDZBQOSA-N 448.997 4.558 10 10 IJCE CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccccc3OC)ccc21 3057233 QZTQZLXKIAAUFR-UHFFFAOYSA-N 427.614 4.703 10 10 IJCE O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCOCC1 14548054 QYDJJZAFCIWBNM-DYRZZGSRSA-N 426.516 4.844 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20703001 UGPGXVFJGFCGQO-IECBHUPTSA-N 434.536 4.975 10 10 IJCE CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850192 RQWHFZYPQBNXHU-JAIQZWGSSA-N 449.557 4.878 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)ccc1O 102902611 FEFKMFSVRFJXBY-MHWRWJLKSA-N 436.352 4.959 10 10 IJCE CC[C@@H](NCc1ccc(NC(=O)C(F)(F)F)cc1)c1cc(Br)ccc1O 390189872 GZPQJHVOUADGMT-OAHLLOKOSA-N 431.252 4.896 10 10 IJCE Oc1cc(Br)cc(Br)c1[C@H](C1CCCCC1)N1CCOCC1 575302169 IVCZMFPLQMHBRS-KRWDZBQOSA-N 433.184 4.871 10 10 IJCE CN(C)c1ccc([C@H](CN)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698260044 NQNUWORZESSAQW-IBGZPJMESA-N 434.378 4.957 10 10 IJCE COc1sc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Br 746523816 YLDFNVYOFSTMHL-MDWZMJQESA-N 426.382 4.921 10 10 IJCE C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 766195002 MOIRCCNXVJBVEU-GCJKJVERSA-N 443.563 4.579 10 10 IJCE CC[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910282 GWIVWANIPIDDIG-OAHLLOKOSA-N 428.444 4.816 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4C)n(CC(C)C)n3)CC2)cc1 1862344581 WLQGDWROCKXBBS-UHFFFAOYSA-N 446.595 4.794 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1 1865680574 OUTAWEVNJDMKFG-HYARGMPZSA-N 431.423 4.573 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)CCC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1865954219 RRXSJKWNLFVQAT-QHCPKHFHSA-N 442.003 4.712 10 10 IJCE CCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871017820 ULVSDGHYMJPAQZ-UHFFFAOYSA-N 448.567 4.519 10 10 IJCE CCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166540 RMSUMJNHRADTFS-UHFFFAOYSA-N 427.548 4.682 10 10 IJCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 1902366978 RLYFQGNNTBKYPN-QGZVFWFLSA-N 445.523 4.607 10 10 IJCE C[C@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115922413 HISKEIUGZQYMIQ-STQMWFEESA-N 447.801 4.791 10 10 IJCE CC[C@H](N[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271270862 KLULFBJSINEXEC-JQFCIGGWSA-N 427.383 4.983 10 10 IJCE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2297470663 KNPAVAXUBFTSHJ-UHFFFAOYSA-N 431.443 4.584 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OC 2321741781 QCFMPKOSFQXFQH-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)N(C)C)cc1 2323880002 FNRBZZOYAITBBO-HXUWFJFHSA-N 437.590 4.681 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Br 2381137823 KBWUTIIJXHCYOF-DJIMGWMZSA-N 439.394 4.731 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3cc(C)c(Cl)c(C)c3)C(=N)N2O1 32969703 OVLBINCKFWEVMW-HRXHUYTNSA-N 438.915 4.678 10 10 IJCE C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 33714078 HMLKWWXTRCVFIZ-JAIQZWGSSA-N 441.530 4.785 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2c(O)cccc2Br)c1 687630684 BRDWDZPYAIVPCW-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 700879714 AFIXRWMWSGIQJZ-XFKAJCMBSA-N 439.394 4.983 10 10 IJCE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 728394597 QLAWWNKMIAMGEN-UHFFFAOYSA-N 446.595 4.570 10 10 IJCE Cc1cc(C)c2oc(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2c1 1859707060 GWWDBPJHWSQZIE-UHFFFAOYSA-N 437.451 4.746 10 10 IJCE Cc1cc(=Nc2cccc3c2C(=O)c2ccccc2C3=O)[nH]c2c1c(C)nn2-c1ccccc1 1859832730 JCIKYACWCUIAPJ-UHFFFAOYSA-N 444.494 4.978 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865673931 FVBNKZNSRZCIPZ-BUVRLJJBSA-N 440.499 4.840 10 10 IJCE CC[C@@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1869214217 PDPDBHDNUBRFDV-JOCHJYFZSA-N 443.595 4.858 10 10 IJCE COc1ccc([C@H](C)NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1OC 1872743179 YWACJRIDWRJQTL-INIZCTEOSA-N 444.535 4.804 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2294208488 JDQXHMBPXWGODK-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1c2ccccc2cc2ccccc12 2296566798 IYUPJUXEKCDMAA-UHFFFAOYSA-N 426.472 4.963 10 10 IJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)OCc3ccccc3)cc2)SC1=S 2331589404 AEIWRXSQYWHYTH-UHFFFAOYSA-N 441.574 4.666 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)ccc1O 2332094891 RUKZJBPSUHVMAQ-UHFFFAOYSA-N 444.487 4.643 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)c(OC)c1 20071014 ZFCBJIGQOCQXBZ-NBGIEHNGSA-N 432.476 4.660 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683176 MFUBXMYYKKIRMB-PNCHPQGNSA-N 434.536 4.775 10 10 IJCE COc1ccccc1CCN[C@@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O 103550447 UHCPVOKANKFBAQ-RBGJJZJSSA-N 428.492 4.575 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 210456934 CZKIMVLCTVNIEG-ODLFYWEKSA-N 443.546 4.571 10 10 IJCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Br)cc21 309580321 JZUBHSAILYOHNR-JOCHJYFZSA-N 436.353 4.869 10 10 IJCE O=C1CCc2cc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc2N1 914794433 CWPXXRLHCYJBBG-JOCHJYFZSA-N 439.475 4.731 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C)cc4C)n4ccccc34)CC2)cc1 1858344951 HPRINEPCNVFVRJ-UHFFFAOYSA-N 440.547 4.589 10 10 IJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951866763 GPEBIHYSAZPUFJ-HSZRJFAPSA-N 447.487 4.788 10 10 IJCE CC[C@H](NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2108704425 AXKLZZGTRFZFDZ-RFUYNDQBSA-N 431.346 4.591 10 10 IJCE CN1CCc2cc([C@@H](N)c3ccc(NC(=O)OC(C)(C)C)c(Br)c3)ccc21 2163133097 JIWHQOBXQRPBPU-LJQANCHMSA-N 432.362 4.837 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@@H]2CCCC[C@H]21 2179392434 IFZBTZLXHHPICD-RLFYNMQTSA-N 439.394 4.670 10 10 IJCE CCCN1CCCc2cc(C=C3C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)ccc21 2296215411 YXTULPZDMOJEOR-UHFFFAOYSA-N 447.604 4.804 10 10 IJCE C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccccc32)c2ccccc21 2297318875 JEYFBIHYNZVOLM-RTBURBONSA-N 427.548 4.948 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 2313548644 AVXWIWXHATXWJS-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100137 OXGNVHFHCWJEQX-UHFFFAOYSA-N 442.515 4.856 10 10 IJCE CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124758 MVIHWMBXVWISAS-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131998 UYVBNSIWWWRPHV-DZUCGIPZSA-N 439.394 4.635 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 20238703 BEVMNBVAKMZJJA-SAIIIAOYSA-N 437.481 4.973 10 10 IJCE N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 33652000 QZKCBXPELRALCS-XVDLVXLGSA-N 433.880 4.662 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 250651590 QLCIFXRDEDEWDD-RQTOMXEWSA-N 432.545 4.740 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031277 ZKAOJHGDFVUOLN-NQSCKRDGSA-N 428.418 4.960 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 745849967 UAXYSRQRNINTSL-OFNKIYASSA-N 428.646 4.817 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OCC 1860085156 RDVVJHVMCWEDRW-UDWIEESQSA-N 445.562 4.907 10 10 IJCE CN(Cc1cccc(CNCc2cc(Br)ccc2O)c1)C(=O)OC(C)(C)C 1913025052 IJAYXEGXVJIFCB-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(C)(C)C 2079629672 BUMIPSPUQFPXOH-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE CNCc1ccc(N(C)C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 2151270424 WDKFXHWODXCSJN-CBQGHPETSA-N 428.418 4.800 10 10 IJCE N=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 2297346848 NNKIGRUJQQYCMJ-UHFFFAOYSA-N 449.898 4.937 10 10 IJCE Cc1cc(I)ccc1N=NN1CCN(CC=Cc2ccccc2)CC1 2330234567 XZFPYTUUBFVRMX-UHFFFAOYSA-N 446.336 4.929 10 10 IJCE O=C(NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S)c1ccncc1 1100729 VVDWGTYOIOWHRA-KGENOOAVSA-N 441.537 4.934 10 10 IJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)c2C)cc1 33926489 XPZPKSDACQJDFZ-HMAPJEAMSA-N 443.459 4.526 10 10 IJCE CCOC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 40928238 WXUJOEAWLZKGJL-QINSGFPZSA-N 442.400 4.774 10 10 IJCE COc1ccc(N2N=C(C)/C(=C/Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 59858687 SABXRZHMYBTHHZ-UCQKPKSFSA-N 429.524 4.833 10 10 IJCE Cc1cc2c(n1-c1ccc(I)cc1Br)CCC[C@@H]2O 388598376 CGWKUFQNQFRTJK-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526215604 XUOBNDVXHLXZLP-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CC[C@]1(CNCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 691389907 DFKFQOAFABZMLV-HXUWFJFHSA-N 427.383 4.672 10 10 IJCE CC[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(Br)ccc1O 723821052 WWSKUHPBPCAQLT-CKEIUWERSA-N 427.383 4.698 10 10 IJCE C/C(=C\c1ccncc1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1463210713 XHJAJMIBLCYYQH-WYMLVPIESA-N 434.297 4.596 10 10 IJCE CCOc1ccc(OCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1859889110 MGFGPKLNORSPPW-UHFFFAOYSA-N 443.499 4.681 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 1860084870 SSBFGGYHRNRNPE-FYJGNVAPSA-N 442.606 4.951 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc(OC)c1OC 1860087857 WVFHVAVQTQJTOR-RQZCQDPDSA-N 433.576 4.840 10 10 IJCE COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)CC2)cc1 1861866507 LRGWKWRKNMXBQB-UHFFFAOYSA-N 449.639 4.554 10 10 IJCE CCOc1c(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cccc1OC 1865670194 NRTVZYDILBJKPO-XLNRJJMWSA-N 428.488 4.937 10 10 IJCE CC1(c2nn(Cc3cccc(Cl)c3O)c(I)c2C2CC2)CC1 2079802580 IEJDKQUWFCUIOD-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE CC[C@@H]1CC[C@H](NCc2cc(Br)cc(F)c2O)CN1C(=O)OC(C)(C)C 2102264426 IYENJEKYXCCLNG-LSDHHAIUSA-N 431.346 4.562 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163315958 BCPQHIADJYRWSA-WZONZLPQSA-N 428.418 4.961 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@H]2CCCC[C@H]21 2179396644 WEAVWIORLADZNZ-HYVNUMGLSA-N 443.357 4.562 10 10 IJCE CN[C@H](c1ccccc1O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401630 ZUKQTKFDZBILQN-IEBWSBKVSA-N 435.362 4.551 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@@H]2CCCC[C@H]21 2241004251 JMBKBWCWMRPTLT-QILLFSRXSA-N 439.394 4.813 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314767231 FDTYLPMOFOCANB-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE Cc1ccccc1C=C1SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 2314828375 SHBFBPNMEOYMRV-UHFFFAOYSA-N 436.480 4.854 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccc(OC)cc2)ccc1O 2332094907 TZJBKFUUQPIMKM-UHFFFAOYSA-N 446.478 4.769 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130955 WTXNWGHYRFBXCD-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CCOc1ccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1 2387300 WFCVJIYVLXUAAD-UHFFFAOYSA-N 439.556 4.837 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 33398838 RBOAQQXBDLTPHZ-INQNZLQJSA-N 438.357 4.891 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1Br 704726703 KWJHRUBULVKQFQ-QHCPKHFHSA-N 430.434 4.905 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708077604 SSMPVATXCCZZSR-MLGOLLRUSA-N 447.801 4.981 10 10 IJCE CN(C(=O)OC(C)(C)C)c1ccc(NCc2cc(Br)cc(F)c2O)cn1 715813176 MVUWOUOWULQRQZ-UHFFFAOYSA-N 426.286 4.672 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(CNC3CC3)cc2Br)CC1 717613915 JKCHTRNPSPFKRI-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1860076877 VJRIHTCKBXLIJP-SFQUDFHCSA-N 428.491 4.567 10 10 IJCE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2243914261 BDTPBBPHQUDKJC-KRWDZBQOSA-N 447.539 4.853 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OCC)c3ccccc3)C2=O)cc1 2314767971 JKVBFPZSMDWCTG-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC 2332125830 UKWQLITXQGSKFN-UHFFFAOYSA-N 449.267 4.656 10 10 IJCE CN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 538642 LHYMPSWMHXUWSK-STZFKDTASA-N 448.419 4.866 10 10 IJCE investigational C[C@H]1C[C@H](C)CN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 2457293 ICKJYJIRMIKHLF-GJZGRUSLSA-N 433.508 4.798 10 10 IJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(C)C2=O)c2cc(Br)ccc21 2533729 WOXQJURSWQTXQN-CCEZHUSRSA-N 439.400 4.577 10 10 IJCE CCOCc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2ncccc12 8611853 KNEUIQKLGWBCKQ-UHFFFAOYSA-N 445.485 4.818 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479635 LWXFTLBKTRDOKY-CWNDDBTHSA-N 442.581 4.607 10 10 IJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15046733 OIGRSCCCOJVBCN-ZSAINHDTSA-N 432.954 4.577 10 10 IJCE N=C1/C(=C\c2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 102585965 RMIMKHXDIGDLAA-YLQKPOMTSA-N 445.729 4.770 10 10 IJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C1CCCCC1 208278079 PGYHKVSZUBFDEI-HMMYKYKNSA-N 439.606 4.605 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526573184 UXPRGDSLQSELSZ-XMMPIXPASA-N 444.487 4.812 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)CC1 708170977 LFNVJNPJZIQOEV-HDJSIYSDSA-N 433.774 4.734 10 10 IJCE CC(=O)c1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cc1 1537250773 CAEBJIVFNARBPD-UHFFFAOYSA-N 449.308 4.543 10 10 IJCE C/C(=C\c1ccccn1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1539360841 IVBDRCORDZMKTE-WYMLVPIESA-N 434.297 4.596 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1cccc(O)c1 1860075114 ILZBZXQUSUFBPX-WLRTZDKTSA-N 442.743 4.920 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC 1865670931 AACNFAAMULHDQG-RQZCQDPDSA-N 447.304 4.797 10 10 IJCE CC1(C)C[C@@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923176631 BYONLSIEGHKXGP-CQSZACIVSA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)cc1Br 2180964688 WPBHGRLTICBJTQ-LBPRGKRZSA-N 438.326 4.959 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2294133736 FMZRYRXREQLOJY-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314831832 SWIUNTSCPYZHMM-UHFFFAOYSA-N 444.553 4.845 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccccc2Br)C1=O 2321613584 SAYLTEGJAKWFHL-UHFFFAOYSA-N 430.352 4.811 10 10 IJCE O=C(NCCCN1CCCC1=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 9406125 XAMSEZVXPCIIBT-UHFFFAOYSA-N 441.575 4.765 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641117 MFUBXMYYKKIRMB-YZZKKUAISA-N 434.536 4.775 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2C)cc1 27246526 KSLPELRTMZHQQU-HXUWFJFHSA-N 431.536 4.594 10 10 IJCE CN1C(=O)/C(=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 33526748 GRHSJZXNKNWVIO-NXVVXOECSA-N 435.357 4.741 10 10 IJCE CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)N(CCC2=CCCCC2)C(=O)N=C1O 38168649 VMQHBHMEIVDYBP-JXAWBTAJSA-N 435.480 4.537 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Sc2cccc3ccccc23)o1 102468818 ZQPHOPHGJDLBAQ-UYRXBGFRSA-N 444.468 4.839 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCCC(=O)O 210463577 ASIPUDOBXVEWST-UYRXBGFRSA-N 443.546 4.653 10 10 IJCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 717120511 DLNXPIIIMVXNTD-LBPRGKRZSA-N 425.303 4.681 10 10 IJCE CCN(CC)Cc1ccc(COC(=O)CCNCc2ccc(N(CC)CC)cc2)cc1 1857869534 IWRXUXYFHNQDBO-UHFFFAOYSA-N 425.617 4.598 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OC 1860073635 ZYCVNCJKWOWYTN-XDHOZWIPSA-N 443.546 4.517 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1912006556 DPCIGMYWTVFCOA-QGZVFWFLSA-N 429.358 4.505 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@H]1c1ccc(OCc2ccccc2)cc1O 1952582312 SKXAXAOWFWXCSA-XLIONFOSSA-N 427.497 4.744 10 10 IJCE CC[C@H](N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2044403933 BMFFTCCSZDMBLT-UGKGYDQZSA-N 447.373 4.997 10 10 IJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc(F)c1 2297295903 XPKJESXWDKLQBV-UHFFFAOYSA-N 438.299 4.723 10 10 IJCE CC1=CSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N12 2297314596 WFPBQHOJIXEUQI-UHFFFAOYSA-N 439.924 4.965 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1)C(=O)O 2314930126 XWZPQPYUZTVMQI-KBXCAEBGSA-N 427.547 4.891 10 10 IJCE COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCCO3)sc(C)c1-c1ccccc1 2325281992 WRGMRVCJVWOEQZ-UHFFFAOYSA-N 435.501 4.933 10 10 IJCE Cc1ccc(CN[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352692530 JJNOOOKSZMVKMQ-AWEZNQCLSA-N 427.383 4.588 10 10 IJCE CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 5098673 LNZVVDPCOLLGGV-SANMLTNESA-N 429.564 4.685 10 10 IJCE COC(=O)N1[C@@H](c2ccccc2)N(c2ccc(OC)cc2)[C@@H](c2ccccc2)N1C(=O)OC 33547776 GSMHXXPGJJNLAX-ZRZAMGCNSA-N 447.491 4.965 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C/C=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 210165298 PCAHDYUBJYUSKG-AQDNJRFQSA-N 425.491 4.515 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 380672952 XDBWDADTDQTTJA-MISYRCLQSA-N 428.418 4.688 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 526248979 YYPAIQHGRFRDQV-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)c(C)c1 586212081 VNZFUMGJMFNLGC-UHFFFAOYSA-N 433.529 4.684 10 10 IJCE CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 1554086905 NBMQMWIHTFEJFK-UHFFFAOYSA-N 432.593 4.509 10 10 IJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)N(C)C)cc1 1858593952 FNRBZZOYAITBBO-JLDPKJTDSA-N 437.590 4.681 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(-c3ccncc3)nc2c1 1859707686 YYWVEOHFKIQQFK-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1[N+](=O)[O-] 1860084560 UAYAYZFEHNPSJP-VCHYOVAHSA-N 430.507 4.796 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2078993024 XHEGMLLUXPLSNL-QGZVFWFLSA-N 436.293 4.581 10 10 IJCE CC1(c2nn(Cc3c(O)cccc3Cl)c(I)c2C2(C)CC2)CC1 2079753474 HRDFBQICUSWSEL-UHFFFAOYSA-N 442.728 4.998 10 10 IJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C=O 2079951125 OPZABCPURXRSPZ-SFHVURJKSA-N 438.309 4.575 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)C[C@@H]1C1CC1 2198270072 IGDDCKIGOWQUCR-DOTOQJQBSA-N 443.357 4.562 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 2296144910 LBHPDUHMHWCXSD-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3OC)SC2=S)cc1 2296683357 MSABZOWZKFRCHL-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 2296700293 VBKRIMWLAOCZPN-UHFFFAOYSA-N 442.518 4.815 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N2O1 2297347699 UXUOHLMWNSUXBW-UHFFFAOYSA-N 431.492 4.602 10 10 IJCE CCOC(=O)CN(Cc1ccccc1)N=Nc1ccc(I)cc1C 2330234482 DBVNYZYYHLZEHP-UHFFFAOYSA-N 437.281 4.664 10 10 IJCE Cc1ccc(CNC[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c(O)c1Br 2352685895 HMPGKMHTDJMFAE-HNNXBMFYSA-N 429.399 4.740 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c(O)c1Br 2381132503 BPWRUSNWKPLMDC-DZUCGIPZSA-N 439.394 4.729 10 10 IJCE O=C(O)c1cc2ccccc2c(/N=N\c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O 12359007 MVQBFZXBLLMXGS-FCQUAONHSA-N 438.417 4.765 10 10 IJCE Cc1cc(C)cc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)c1 27572534 RPARFCRMOZRTKU-GERRNVAGSA-N 433.533 4.928 10 10 IJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 205969940 ALQQQQXZTXJFRP-XQNSMLJCSA-N 431.467 4.980 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21)N1CCOCC1 226695351 CYINAFNUABUARQ-HTZUNMPGSA-N 445.346 4.998 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccc(Br)cn1 732666818 DZHFHNPEMKEHNJ-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 1084351713 YKSWBNJFFUTWHM-KQWNVCNZSA-N 443.503 4.501 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)CCCC(=O)N2 1859572152 NQSHWNBPGMTAPA-UHFFFAOYSA-N 447.969 4.848 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675490 KVUAFWINCFSYSI-DEDYPNTBSA-N 434.879 4.897 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)c1cc(Br)ccc1O 2090373864 FWBFDAAYWGQZNO-PMPSAXMXSA-N 431.346 4.543 10 10 IJCE CCCN[C@@H](c1ccccc1O)c1cc(Br)ccc1I 2146251240 WALANJZLZJVYCD-INIZCTEOSA-N 446.126 4.848 10 10 IJCE CN1CCc2cc([C@@H](O)c3ccc(NC(=O)OC(C)(C)C)c(Br)c3)ccc21 2163074728 VQPUVTOOVLSZMZ-LJQANCHMSA-N 433.346 4.870 10 10 IJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1=Cc1ccc(N(C)C)cc1 2293347185 VSUNGBQYACGMKK-UHFFFAOYSA-N 433.493 4.590 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 2296777100 GBDYHGFPZJPSBN-UHFFFAOYSA-N 441.531 4.994 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=S)N(NC(=O)c2ccccc2C)C1=O 2314768664 KQDXKYDDEVFRCX-UHFFFAOYSA-N 434.542 4.703 10 10 IJCE CCCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2C(F)(F)F)cc1OC 2332114508 LDCQEECDXCIMDZ-UHFFFAOYSA-N 449.267 4.800 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)NCc1ccccc1 15037154 CJVUXONOUNFKBV-JCMHNJIXSA-N 444.581 4.871 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 20706425 KBZGXJDDVVVMJJ-YVHKJVDXSA-N 439.899 4.547 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OC(C)C 33441879 WUOGHMLERKECHY-NVNXTCNLSA-N 432.835 4.782 10 10 IJCE COc1cccc(/C=C/C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1OC(F)F 45605715 DDUSVZXEHBAZPJ-SDNWHVSQSA-N 430.495 4.959 10 10 IJCE CC(C)(C)OC(=O)N1CCC(NC(=S)N(c2ccccc2)c2ccc(N)cc2)CC1 244370799 XYTHBTLMTQBOSQ-UHFFFAOYSA-N 426.586 4.681 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(Br)cc2O)Cc2ccccc21 691408193 WDQBZEGVNXYPER-QGZVFWFLSA-N 433.346 4.611 10 10 IJCE CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1626312526 QLPVFOPZFOVRFX-UHFFFAOYSA-N 447.373 4.534 10 10 IJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(COC)CC1 1705525497 KYFUFZKPXTWRHD-UHFFFAOYSA-N 429.568 4.549 10 10 IJCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCCC=C 1705669545 PFWQUXIWQDOGCR-HHHXNRCGSA-N 443.595 4.937 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668098 GKYIJCCXXSIQPR-PXLXIMEGSA-N 446.478 4.682 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865672047 XFEGRIFBKHLUHP-KGENOOAVSA-N 446.890 4.954 10 10 IJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCCC(=O)Nc3ccccc3)cc2)SC1=S 1871287824 WDZAAYNKAKLZFQ-XSFVSMFZSA-N 440.590 4.951 10 10 IJCE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1937210898 YIQTWGDZIXYHKS-QGZVFWFLSA-N 448.519 4.609 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080012986 WXJZUQSKMZBTFO-SFHVURJKSA-N 437.334 4.659 10 10 IJCE CN(CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)c([N+](=O)[O-])c1)Cc1ccccc1 2132057789 IMICDMPRWDNBNB-UHFFFAOYSA-N 445.519 4.831 10 10 IJCE CC[C@@H](NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159045095 WZFCNHSKOIGXFH-UKRRQHHQSA-N 449.336 4.840 10 10 IJCE CNCc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163334892 ORXKEGQCWRDSIT-UHFFFAOYSA-N 428.418 4.661 10 10 IJCE O=C(O)c1ccc(Cl)c(-c2ccc(C=C3NC(=O)N(Cc4ccccc4F)C3=O)o2)c1 2296235622 DOLGBNSHCVNTMI-UHFFFAOYSA-N 440.814 4.530 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 2313683101 RSJGEIUPXRKCEN-UHFFFAOYSA-N 436.270 4.784 10 10 IJCE CCCCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323718854 KMHVZPBWCQNKOI-UHFFFAOYSA-N 430.389 4.945 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638798 UOSMDAFBLHQGFX-HLIPFELVSA-N 433.371 4.526 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639535 MBAJXEBXRJMMAI-XLNZFTOWSA-N 440.565 4.535 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)CC2)cc1 108433428 HQQGTHWGEZBVNS-UHFFFAOYSA-N 436.581 4.547 10 10 IJCE Cc1cc2c(n1-c1cc(Br)ccc1I)CCC[C@@H]2O 311596263 YUMHJYGFQSEDQZ-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE CC[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 381869987 QMSXBUOPEIWVSD-YOEHRIQHSA-N 427.383 4.843 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 526481858 ODYFURIKPRCSPJ-XMMPIXPASA-N 442.515 4.905 10 10 IJCE Cc1cc(CNC(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)c(C)n1-c1ccccc1 1287661218 PJCSAFVLVLPGFE-SFHVURJKSA-N 446.576 4.681 10 10 IJCE Brc1cccc(C2(CNCc3ccc(N4CCOCC4)cc3)CCCC2)c1 1661971372 LYFVGGVBRYWAFW-UHFFFAOYSA-N 429.402 4.887 10 10 IJCE O=C(O)C=Cc1ccc(N2CCCN(Cc3ccccc3)CCC2)cc1Br 2152577602 BOBPBPSPABZINB-UHFFFAOYSA-N 429.358 4.649 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@@H](CNCc1cc(Br)ccc1O)c1ccccc1 2175016274 CZKTWARNXKUXBH-SFHVURJKSA-N 435.362 4.853 10 10 IJCE O=C1C(=Cc2cccs2)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 2296881604 QSUKPSXQLXEAKX-UHFFFAOYSA-N 428.604 4.709 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2314933450 WBJGQMSUOQWIQG-LLVKDONJSA-N 449.937 4.606 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1 2332134736 DZCBEJUOAXFTDG-UHFFFAOYSA-N 430.891 4.957 10 10 IJCE Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 2915185 BQZSUPHEWNVWTL-UIOOFZCWSA-N 435.531 4.865 10 10 IJCE Cc1cc(-c2csc(NC(=O)CCOC[C@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 107611930 DFBFJMWTOQVNEK-LJQANCHMSA-N 443.544 4.881 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)c1cc(Br)ccc1O 707487822 KFYMKBADNKVEEG-GVDBMIGSSA-N 427.383 4.983 10 10 IJCE Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 1084629497 BCJHAJSQKOBXJZ-UYRXBGFRSA-N 434.542 4.879 10 10 IJCE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705791830 FRNZGYQBWISBMY-UHFFFAOYSA-N 425.621 4.552 10 10 IJCE CC[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910281 GWIVWANIPIDDIG-HNNXBMFYSA-N 428.444 4.816 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)Cc2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1868008526 WUGKKVBECVKZFT-JOCHJYFZSA-N 434.411 4.945 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNCc2c(O)cccc2Br)CC1 2178642358 TZRGQVZJQUTVFG-OYOVHJISSA-N 445.373 4.668 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)c1 2180963628 PHZUCSASTFVVFG-LBPRGKRZSA-N 438.326 4.959 10 10 IJCE N=C1C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 2297314548 FTKFXHNQYABKRG-UHFFFAOYSA-N 440.322 4.805 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c1 2314769748 UVYHWJLWQXVINN-LJQANCHMSA-N 427.547 4.591 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 2314932111 KOEGBOKQDMNDHX-CQSZACIVSA-N 443.546 4.511 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 13635195 GJYHKPBEFFQCKK-HWBMXIPRSA-N 438.593 4.942 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472993 YMEMSAGTWABUIU-CKJXQJPGSA-N 447.944 4.763 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 15039314 XKUCPRUDUAFBCO-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N2O1 20236439 NMXADKBDHGKUNI-POLMPROESA-N 431.492 4.602 10 10 IJCE O=C1/C(=C\Nc2ccc(F)c(Cl)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 101014155 MGBNMECYXDZSPU-WQLSENKSSA-N 428.729 4.648 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526141113 GTGJBFZBVWQBTM-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 721929203 JLRRDBJEVJIJTJ-NVXWUHKLSA-N 427.383 4.841 10 10 IJCE Oc1c(Br)cc(Br)cc1CN1CCC(C2CCOCC2)CC1 775724618 FMNRFMHBUCFINA-UHFFFAOYSA-N 433.184 4.556 10 10 IJCE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(Cl)c(Cl)c1 1084180567 SXNQEEKWYJEURA-SOFYXZRVSA-N 439.345 4.993 10 10 IJCE C/C(=C/C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)c1cnccn1 1435165481 LSPAOKKHTQZJMV-PEZBUJJGSA-N 431.471 4.642 10 10 IJCE CC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 1446822205 DAVJIEKFOQBHGV-UHFFFAOYSA-N 427.548 4.506 10 10 IJCE CC(C)N(C(=O)COc1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O 1859889106 MENGSULAGFNXJI-UHFFFAOYSA-N 433.891 4.936 10 10 IJCE COC(=O)c1c(NC(=O)Cc2cc(=O)c3ccccc3[nH]2)sc(C)c1-c1ccccc1 1866076981 YJMUYNDDFGBOKJ-UHFFFAOYSA-N 432.501 4.533 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@@H]2CCCC[C@@H]21 2241004253 JMBKBWCWMRPTLT-ZVZYQTTQSA-N 439.394 4.813 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C)c2C)C1=O)C(=O)O 2314932323 MDOXKPDJLJUCLH-QGZVFWFLSA-N 427.547 4.951 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 2314932530 NMEDOYRBSTUHID-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccco2)SC1=S 15046523 SCNIFYUCVAWHTO-ADVUTCEVSA-N 426.441 4.527 10 10 IJCE O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33585627 MTBVXVAMYRQPPU-YJAULYPZSA-N 449.601 4.593 10 10 IJCE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cccc2ccccc12 1862370588 ZCUBYAFOFUNSEJ-UHFFFAOYSA-N 440.547 4.694 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)c1cc(Br)ccc1O 2279119982 SAXDLPWVIOHWGH-HOCLYGCPSA-N 449.336 4.840 10 10 IJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 2296323480 GEIZDRSYOHHSOM-UHFFFAOYSA-N 437.455 4.510 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 2296660191 NQIQANAYQIOFTA-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc2c1C(=O)[C@@H]1C=CC=C[C@@H]1C2=O 2297511150 BCIIGVGKEFMADL-ZWKOTPCHSA-N 443.890 4.796 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 2314767793 IOFFRWKIWGYKKA-HXUWFJFHSA-N 435.526 4.876 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OC 2321709062 ORJURBITVROMHQ-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE CC(C)n1ncc(Br)c1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2367973291 CFNOOKVCUCQISB-UHFFFAOYSA-N 437.382 4.888 10 10 IJCE O=C(O)c1cccc(N2C(=O)/C(=C/C(Cl)=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 33682872 OUIDDFGOSDTAMC-SYBCZUEZSA-N 446.893 4.822 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 102619609 OFXXRZQGQNDYMI-JWGURIENSA-N 433.508 4.878 10 10 IJCE COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)cc2)cc1 103750084 CRVJQWPLZKUCFX-TZYNAGIUSA-N 449.532 4.710 10 10 IJCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Br)cc21 309580325 JZUBHSAILYOHNR-QFIPXVFZSA-N 436.353 4.869 10 10 IJCE CC[C@@]1(CNCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 691389905 DFKFQOAFABZMLV-FQEVSTJZSA-N 427.383 4.672 10 10 IJCE O=C(NCc1ccc(OCc2ccccn2)cc1)N(Cc1ccco1)Cc1ccccc1O 726101590 DRGJQUPNJJGFNN-UHFFFAOYSA-N 443.503 4.871 10 10 IJCE CCc1nc([C@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)no1 775659207 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CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2136107430 QOEZCQBNJZNLMH-DJJJIMSYSA-N 445.785 4.545 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Br)cc1 2313510840 YFQCYTHQOHMTKE-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1)C(=O)O 2314929158 IDECNDSKPXJDOQ-SFHVURJKSA-N 427.547 4.951 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)c1 2321663713 BUYBSCAENABXFB-UHFFFAOYSA-N 440.546 4.610 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cccc(Br)c2)cc1 2332098190 YFQWFLSZYIYABG-UHFFFAOYSA-N 434.293 4.687 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100144 PUDIAXHHHXTJRT-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 2332144908 YNAQACSIIQLRJX-UHFFFAOYSA-N 433.851 4.784 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(C(=O)NCCN(CC)CC)cc3[C@H]3C=CC[C@H]32)cc1 14543865 XJPQDHIQILXNSQ-ZEVJAHDQSA-N 433.596 4.983 10 10 IJCE Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)c1 15037433 QUKNUZDJHRFNET-BOPFTXTBSA-N 432.954 4.584 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 205691857 DBMSCZSNBNBTIG-QGOAFFKASA-N 441.534 4.523 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(NC(N)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 586636089 YDDDKCYHEGCSDZ-UHFFFAOYSA-N 437.521 4.870 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(CNCc2cc(Br)cc(F)c2O)cc1 715825724 FMSCRZWFBKIMKV-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1 1860084246 SAVZDHIQVIPJII-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162391 SVFJERMKMGXZTF-UHFFFAOYSA-N 447.966 4.680 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422203 LCNRBLQHUKZURN-UHFFFAOYSA-N 440.547 4.515 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1901482553 IYXOBCOHGNVTHO-HXOBKFHXSA-N 447.539 4.995 10 10 IJCE CN(C)c1ccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F 1951801154 ORXVOGQOVSBSHC-AREMUKBSSA-N 448.494 4.730 10 10 IJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1Br 2079027185 POTNXRADHCZHKG-KRWDZBQOSA-N 433.346 4.887 10 10 IJCE Cc1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079806977 WMKGDLMUVXTAQS-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 2293631420 CCMYCYOCCACDSF-UHFFFAOYSA-N 448.906 4.697 10 10 IJCE N=C1C(=Cc2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccccc3F)=NN12 2297346780 BNMMFDFXQUAWMC-UHFFFAOYSA-N 449.898 4.937 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCCC[C@@H]23)c(O)c1Br 2380797578 INLDVIFKOIFDGC-GVDBMIGSSA-N 439.394 4.731 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1 14461920 PXWIPSUJTYSWJM-JCYRPKCISA-N 444.623 4.747 10 10 IJCE CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 33693555 BNQNNPJGZQUDEN-MLJBDGAYSA-N 447.560 4.954 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 101570153 RTEDFTNBJIQLHZ-SPXSAIPKSA-N 447.516 4.780 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCN(C)[C@H]3c3cccs3)ccc21 525041388 KNPFIPIAGQXAKG-HYBUGGRVSA-N 439.625 4.779 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526216585 KUCKYRDTEVSGRB-XMMPIXPASA-N 447.487 4.952 10 10 IJCE C/C(=C\c1cccc(C(F)(F)F)c1)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 808381743 SWDMEUYUSUQRJW-KZFLWGQDSA-N 431.502 4.600 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C 1477047426 FIAIXRNICVPHIX-IRXDYDNUSA-N 427.520 4.580 10 10 IJCE COc1cnc([C@H]2CCCN2C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)nc1O 1558703702 WTOHFYBKLNCPBH-OAQYLSRUSA-N 434.540 4.699 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705478360 AFTYCGUDGUUUNF-KIVTUJJHSA-N 443.595 4.792 10 10 IJCE COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCCO3)sc(C)c1-c1ccccc1 1865910886 WRGMRVCJVWOEQZ-PKNBQFBNSA-N 435.501 4.933 10 10 IJCE CCC[C@@H](N)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866017286 JAELCJXJFDKGQL-CYBMUJFWSA-N 439.375 4.593 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873167961 DVHDXOVKDQWRFO-IBGZPJMESA-N 441.575 4.805 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1901482552 IYXOBCOHGNVTHO-GAJHUEQPSA-N 447.539 4.995 10 10 IJCE Cc1c(C2CCC2)nn(Cc2c(O)cccc2Br)c1I 2079791743 LXSMOJPSOYVTJE-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CC[C@H](N[C@@H]1[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21)c1cc(Br)ccc1O 2146660260 FWVASKPPYJHYEC-IWKCEXAMSA-N 439.394 4.983 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cc(Br)ccc3O)CCCCC[C@@H]12 2153949517 GJVYBQMWLJRWSL-NQIIRXRSSA-N 439.394 4.957 10 10 IJCE COC(=O)c1ccccc1-c1ccc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)o1 2297561913 XJEGJSPZMLERGF-UHFFFAOYSA-N 438.530 4.689 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3F)CC2)SC1=CC(Cl)=Cc1ccccc1 2314557389 BDSFDYJKSPUQOL-UHFFFAOYSA-N 427.932 4.741 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(OC(C)C)c(OC)c2)cc1 2332125593 SOLGCAMSLVXKHF-UHFFFAOYSA-N 443.503 4.721 10 10 IJCE COc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c(OC)c1 2332140641 YGJHVMCRUDHJNL-UHFFFAOYSA-N 442.796 4.840 10 10 IJCE COc1ccccc1Oc1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 97569797 ZVGAERDUNRUZSX-XNTDXEJSSA-N 444.531 4.654 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 1860086849 KURSSXVJYARHQG-LICLKQGHSA-N 428.491 4.566 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)c1 1860086956 RPTICDCPRWIRBD-NTEUORMPSA-N 434.520 4.627 10 10 IJCE CCCN1N=C(c2ccccc2)/C(=C/c2cc(Br)c(OCC)c(OC)c2)C1=O 1865671178 OBBYQZBJPHXAOJ-ATVHPVEESA-N 443.341 4.896 10 10 IJCE CCOc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870787247 ZAQZGBRXTUHYNS-UHFFFAOYSA-N 443.551 4.890 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(OCc2ccccc2)cc1 2042448218 MZQJYNNNAMXPEA-UHFFFAOYSA-N 442.559 4.774 10 10 IJCE Oc1c(F)cccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1I 2079693723 IFODNXIUTGKQNK-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE CC(C)[C@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2126371727 LKLHAJKMXYOUFB-CVEARBPZSA-N 447.801 4.932 10 10 IJCE C[C@H]1C[C@@H](N(C)c2ccc(C=CC(=O)O)cc2Br)CN1Cc1ccccc1 2154834316 WTOGJLJKVHPORH-QFBILLFUSA-N 429.358 4.646 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3ccccc3OC)C2=O)cc1OCC 2323759430 ZUVSRNQYKHBWLZ-UHFFFAOYSA-N 429.563 4.894 10 10 IJCE COc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1OC 2332130582 GQTPYBDRPNCPTP-UHFFFAOYSA-N 442.796 4.840 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131852 MILSLKKQPXCHBP-UHFFFAOYSA-N 426.472 4.532 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 14466633 YFVIWWKOABGUEL-AEFRCRGFSA-N 444.984 4.624 10 10 IJCE Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)c1C 27572540 ASWWIXRVPNAXRP-JRCZNVDKSA-N 433.533 4.928 10 10 IJCE COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1 33701371 IYGXMVSZNFLQBA-UNOMPAQXSA-N 438.530 4.689 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)Nc1ccc(F)cc1 211957598 MXRRLCYFQOGXPD-XDHOZWIPSA-N 438.505 4.926 10 10 IJCE CN(c1ccc(CNC(=O)N[C@@H](Cc2nccn2C)c2ccccc2)cc1)C1CCCCC1 743567361 PTYVFVFZBQXKJO-VWLOTQADSA-N 445.611 4.972 10 10 IJCE C/C(=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccs1 1586620542 YYMKGVYFOFTLHI-WLGQOEQESA-N 429.586 4.600 10 10 IJCE CC(C)(C)OC(=O)NC(C)(C)c1csc(=NCc2cc(Cl)cc(Cl)c2O)[nH]1 2282800833 GXHQKCLETBTEHC-UHFFFAOYSA-N 432.373 4.949 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1 2321683353 JEBFDFXXMBKNGW-UHFFFAOYSA-N 433.938 4.931 10 10 IJCE C/C(=C1/SC(Nc2cc(C(=O)O)ccc2C)=NC1=O)c1ccc(Br)cc1 39870083 KKFLUTOUQCAYBR-WJDWOHSUSA-N 431.311 4.928 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1 39874905 BRLNMMGLBYVWAC-ATVHPVEESA-N 439.587 4.835 10 10 IJCE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 59679780 URNJQZRLIXXDBF-WJDWOHSUSA-N 442.327 4.615 10 10 IJCE CCCc1n[nH]c(=S)n1CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 248155625 DHFCELGXGCTTGI-QHCPKHFHSA-N 432.549 4.658 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526399286 XPEOUCFXFNQILW-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(Br)cc1O)C1CCCCC1 701016769 ZGHLFDDZBHJFNG-QGZVFWFLSA-N 427.383 4.718 10 10 IJCE FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 754784160 CWEIRNGJPRLTCH-FDDCHVKYSA-N 434.502 4.800 10 10 IJCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 1865675821 BLGKVDMJHDYXTB-PGMHBOJBSA-N 426.472 4.564 10 10 IJCE CCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168134 KBCHUWYCSSFYSJ-HXUWFJFHSA-N 427.548 4.935 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@H]2CCCC[C@H]21 2240995810 JMBKBWCWMRPTLT-UWWQBHOKSA-N 439.394 4.813 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1)C(=O)O 2314930128 XWZPQPYUZTVMQI-KSSFIOAISA-N 427.547 4.891 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)c1)C(=O)O 2314930700 HYRITGCCWQZNET-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE COc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 2332141774 XSUJNGDDIOGDEV-UHFFFAOYSA-N 425.204 4.806 10 10 IJCE Cc1ccc(CNCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2381138469 OKPVVJMSTDEQOR-MRXNPFEDSA-N 441.410 4.980 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 39859240 RXNKTPSQNRELLL-YBEGLDIGSA-N 433.352 4.813 10 10 IJCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 726591975 JTGLNQKVJAKFEB-MRXNPFEDSA-N 425.504 4.964 10 10 IJCE O=C(NCc1cccc(Br)c1O)c1ccc(-c2cccc(Cl)c2)nc1O 1448964570 ROLQHEBFGZLULT-UHFFFAOYSA-N 433.689 4.506 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3OC(C)C)C2=O)cc(OC)c1OC 1860086085 JCAGRWPIOVLXIB-XDHOZWIPSA-N 445.562 4.905 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)ccc1O 1865650090 VCONQEACPFUOMC-PXLXIMEGSA-N 428.488 4.630 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654373 SGTZNZQOEVBFLS-CIAFOILYSA-N 434.879 4.590 10 10 IJCE Cc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn2C)cc1C 1868170142 JBBRWJZCXIPZGQ-UHFFFAOYSA-N 435.483 4.732 10 10 IJCE O=C(N[C@@]1(c2cccc(Cl)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952766939 YPOJLMSCMBWLAL-NBGIEHNGSA-N 449.890 4.884 10 10 IJCE O=C1C(=Cc2ccccc2Cl)SC(=S)N1CC(=O)N1CCCc2ccccc21 2296881633 SIORYBFWPMCVIX-UHFFFAOYSA-N 428.966 4.521 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=CNCc2ccccc2)cc1 2313556446 JTGPGVRRGXZKTO-UHFFFAOYSA-N 440.528 4.730 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 2314563195 WGICQABYDVXJFN-UHFFFAOYSA-N 439.587 4.753 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)O 2314932515 NINFXOXITQLGKT-OAHLLOKOSA-N 433.938 4.988 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCCCN(CC)CC)C2=O)cc1OC 2323831804 FQJXQMZZXMPYKB-UHFFFAOYSA-N 436.643 4.807 10 10 IJCE CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cc(F)cc(F)c3)ccc21 3057250 LEDINDPNJOEBPQ-UHFFFAOYSA-N 433.568 4.973 10 10 IJCE CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 36876030 ZOWNEUSNNFSNFU-VWLOTQADSA-N 449.938 4.788 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)c1 59859866 BIBNRFFXBWQQDK-GDNBJRDFSA-N 429.270 4.581 10 10 IJCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 109979363 QPNDKNVGBRZBHU-UHFFFAOYSA-N 431.565 4.724 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S 206842941 CCHQTDJXEHAETG-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 749806296 KGUMTTJYQCJKFS-UHFFFAOYSA-N 437.510 4.549 10 10 IJCE COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3c(C)cc(C)cc3O)c2)cc1 788603061 DRFAETRNYIYQEH-SFHVURJKSA-N 440.565 4.669 10 10 IJCE CC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc1C 1446241658 RGSBNIREWZUJRX-UHFFFAOYSA-N 440.341 4.693 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OCC 1858589267 ULHFPGGJTOXILC-RGVLZGJSSA-N 443.546 4.614 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1858591403 KCCDDCHVPRUOPF-XWALVKJWSA-N 425.575 4.881 10 10 IJCE O=C1/C(=C\c2ccc(O)cc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 1865654305 PKWKRKMPYAOXKL-SDQBBNPISA-N 431.197 4.749 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951665014 PWPWIGQTSNTYMK-JOCHJYFZSA-N 433.460 4.542 10 10 IJCE CCCOc1ccccc1C=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2295967763 QUWQUPSDWNEBDU-UHFFFAOYSA-N 441.984 4.921 10 10 IJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)c1C 2297317083 RCSCLPIKQQUGLF-UHFFFAOYSA-N 426.929 4.923 10 10 IJCE CCN(CC)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323790139 NJEAFWSLWDNAOJ-UHFFFAOYSA-N 426.607 4.809 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099733 ZLZGBLSWWGFSPC-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C 59396880 UKQLVUKLHZBMSJ-WQRHYEAKSA-N 430.507 4.796 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 98031538 LRNASMMNPIBKLP-HJDVLLJCSA-N 443.546 4.511 10 10 IJCE COc1cc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)cc(OC)c1OC 586741674 YUVVLMXYUKOKJS-UHFFFAOYSA-N 446.507 4.574 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)[C@@H](C)C(=O)N2 1859572241 TXSFWFJMRUXCLX-SNVBAGLBSA-N 433.942 4.628 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(N2CCCCC2)cc1 1860085509 OQYINBBGRYLDGJ-XMHGGMMESA-N 425.535 4.991 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cccc(C(F)(F)F)c1 1860721550 PCPFYFLQTKXWDW-UHFFFAOYSA-N 437.643 4.555 10 10 IJCE Oc1c(Br)cccc1Cn1ncc(C2CCCC2)c1I 2070248166 QXYOBDPGBNIVLK-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(C=O)c2I)cc1C 2079970987 ACQHXMAXTIZISE-SFHVURJKSA-N 438.309 4.745 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(N)c2I)C2(C)CC2)cc1C 2079978480 BAPSDOXBNZREDN-QGZVFWFLSA-N 437.325 4.659 10 10 IJCE COc1ccc(Br)c(CNc2ccccc2CNC(=O)OC(C)(C)C)c1O 2236050103 AOWSERARQMNJKJ-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 2293215222 FDXKFKKFSMWIDR-UHFFFAOYSA-N 434.517 4.847 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 2296147102 CXJWZWOLHGIMRP-UHFFFAOYSA-N 427.504 4.686 10 10 IJCE CCCCCCN1C(=O)C(=Cc2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2296546345 VSCWENQDALBLKS-UHFFFAOYSA-N 444.626 4.544 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139382 AUTZISZLJFAPCS-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Br 2352673859 YTQQYUVNAXMILU-CZUORRHYSA-N 427.383 4.588 10 10 IJCE CCC(=O)OCCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 9641282 NYWIDXLRBWTWLW-HNNXBMFYSA-N 433.508 4.641 10 10 IJCE COc1ccc(O)c(CN(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)c1 11932673 VAQHIDREUNSPAQ-AREMUKBSSA-N 438.612 4.602 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 15040081 SWIUNTSCPYZHMM-RGEXLXHISA-N 444.553 4.845 10 10 IJCE Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2ccccc2)cc1 27521929 MEVABVAPVJZIJB-IVNHJSRESA-N 432.545 4.562 10 10 IJCE O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 33319736 DAALFCGATIHRRK-AUWJEWJLSA-N 426.397 4.725 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 40939959 BKXYKPYXVCGVRH-ATVHPVEESA-N 432.954 4.675 10 10 IJCE Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 206856600 RVUHIUMYPQQYIN-UYRXBGFRSA-N 427.547 4.640 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 210500159 HZFNVZJDPKTHRY-QGOAFFKASA-N 435.567 4.822 10 10 IJCE CCCOc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 1860085772 ZEWMXKOLVLCICG-GZTJUZNOSA-N 446.506 4.504 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 1865656819 TXDOEQXWXOCFOT-XQNSMLJCSA-N 429.495 4.730 10 10 IJCE CC[C@H](NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918427193 PZZWQTAOLXTOQI-INIZCTEOSA-N 425.367 4.595 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080035466 RMMSLVRBYFZJHG-CQSZACIVSA-N 448.283 4.721 10 10 IJCE N=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335645 HMNWUZRSBNSSLY-UHFFFAOYSA-N 438.512 4.933 10 10 IJCE CCOc1ccc(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 101390306 MUYODFURZBRBCB-SDNWHVSQSA-N 432.427 4.956 10 10 IJCE CC[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311303177 OEDRUCCCSQBUFG-QGZVFWFLSA-N 425.367 4.763 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c(Br)c1 383799806 YPWGGSVHLIACFY-SFTDATJTSA-N 428.418 4.517 10 10 IJCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 708156207 GMSFYBHDOWAVGT-ABAIWWIYSA-N 433.774 4.543 10 10 IJCE COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c(C)n(C)c3ccccc23)n1 789725724 AKUWFMWRYBIJAB-UHFFFAOYSA-N 431.514 4.559 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 1461625076 CUOADYRHGSZMSE-HNNXBMFYSA-N 445.785 4.830 10 10 IJCE O=C(CCNCc1cccc2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860712328 RGEXOJWAVIEGIA-UHFFFAOYSA-N 434.495 4.734 10 10 IJCE CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1872849850 HVZJAPSYMRXUHO-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE CN1CCCc2cc(CNCCN(OCc3ccccc3)C(=O)OC(C)(C)C)ccc21 1941550200 DQUDVDWQAZTTQZ-UHFFFAOYSA-N 425.573 4.528 10 10 IJCE CC[C@H](NC[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2205648140 GHPFHVNHMGJXRO-IKICRFKJSA-N 439.394 4.841 10 10 IJCE Cc1ccccc1COc1cccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2314761122 QDSGTOVJVXIHRQ-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)cc2)SC1=S 2314770060 YPSVBEYMUFXSGN-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15047407 MRFPLRBFMMFSAR-FDIDITGRSA-N 446.981 4.967 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226798577 OQJKXQBPKCVLBP-IMWIBFENSA-N 442.581 4.735 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CNCc2cc(Br)cc(F)c2O)cc1 715814313 SITFEGMMWNTCDQ-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1444659989 ASCDUXRQYPIHEI-VKAVYKQESA-N 448.485 4.514 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cccc(Br)n1 1653348799 GKEBDFXRPNJHPU-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)COc1ccc(Cl)cc1 1857996886 LUOVNXPVGAGJLB-UHFFFAOYSA-N 443.862 4.980 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@@H](Cn3cccc3)c3ccc(Cl)cc3)CC2)cc1 1860178827 METSLBZSJPMKOV-NRFANRHFSA-N 437.971 4.673 10 10 IJCE CCN(CC)CCCCNC(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1 1872739049 SKFAANAWQRIDQT-UHFFFAOYSA-N 435.616 4.928 10 10 IJCE CCN1CCc2cc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc3ccccc3)ccc21 2044718587 KGUHYXCKOFYDIA-DKLXNKCPSA-N 440.584 4.601 10 10 IJCE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2093493664 RZWNOSBILAFSDV-LRDDRELGSA-N 447.801 4.933 10 10 IJCE CCC1(NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1 2101406284 YDLNDDIGEXUEBW-UHFFFAOYSA-N 431.346 4.563 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163307343 RENNPPUBQUQOHO-FDDCHVKYSA-N 429.402 4.995 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2ccccc2I)cc1Br 2280346968 JRJXVFCYUBBDTE-LLVKDONJSA-N 445.142 4.710 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)ccc1O 2321709061 YZITXDFHXIIABG-UHFFFAOYSA-N 434.542 4.792 10 10 IJCE CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 15780703 AWRRNUZULPJALO-MHZLTWQESA-N 443.591 4.614 10 10 IJCE COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)c1 20071119 WONHHMLATAJLGC-LVXARBLLSA-N 446.503 4.969 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 27527407 XWIOHNIZKMIDJC-FYJGNVAPSA-N 436.489 4.616 10 10 IJCE C[C@H](N1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O)C12CC3CC(CC(C3)C1)C2 108760799 MTZHVSUBJCLCBT-LDHCFQOPSA-N 428.532 4.907 10 10 IJCE COc1cc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)ccc1OC(C)C 206466349 YLUCUAQGIVRJRD-XDHOZWIPSA-N 449.594 4.560 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)c1 526559811 IEZYIRKHJUPXTN-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586705412 WIIDCGOKYJSQLK-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705967995 PGTWHLZGSVPIRI-ZQMYSKGWSA-N 428.418 4.817 10 10 IJCE CN(Cc1ccccc1CNCc1c(O)cccc1Br)C(=O)OC(C)(C)C 706843868 FTBYOOMPWWCWPW-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1OC(F)F 1630550324 NKUDNMSYXGYNCD-GNBKXHOFSA-N 448.485 4.760 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(C)c(C)c1 1860761554 YHUWHDJBIJMVFA-KSSFIOAISA-N 442.581 4.760 10 10 IJCE CCOCCOC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccccc2OC)c1C 1874170008 RXCRROSGPQKKQN-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1cc(Cl)cc(Br)c1O 1965955707 ANFQCAQENRCKPS-NHYWBVRUSA-N 433.774 4.543 10 10 IJCE COc1cccc(Cn2nc(C3(C)CC3)c(C(C)(C)C)c2I)c1O 2079802045 BDVOCOZIJJFHDS-UHFFFAOYSA-N 440.325 4.599 10 10 IJCE CC[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)c1cc(Br)ccc1O 2098976776 RWOUKJCABNWHPV-GDBMZVCRSA-N 427.383 4.983 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2NCc2c(O)cccc2Br)CC1 2144614084 VXCOIZBGWSISEG-GOSISDBHSA-N 439.394 4.814 10 10 IJCE CNCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935327 MJQHMOYZFIMWHE-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935582 UECWHXDCUZBRNF-QFUCXCTJSA-N 429.402 4.851 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 2313559104 RCSLHWOPJSEJST-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C)c(C)c2)C1=O)C(=O)O 2314932144 LAVAMZJBSWNSRI-KRWDZBQOSA-N 427.547 4.951 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cc2ccncc2)cc1 2318753338 HBODRDNAHZZDPG-UHFFFAOYSA-N 433.514 4.986 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc(F)c(F)c3)SC2=S)c1 2321683388 UWWIYTINTVVEGI-UHFFFAOYSA-N 425.865 4.811 10 10 IJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1 2332144924 ZQMULXDDYTXNSJ-UHFFFAOYSA-N 446.168 4.956 10 10 IJCE CC[C@@H](CCCC(=O)NCc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2381139037 ZORIBCIVOVHTTA-HNNXBMFYSA-N 443.382 4.553 10 10 IJCE CC(C)C1=NN2C(=N)/C(=C\c3cccn3Cc3cccc4ccccc34)C(=O)N=C2S1 33567017 VMHCIRCVBGCICE-NHOPXOSBSA-N 427.533 4.965 10 10 IJCE COc1ccc(/C=C\C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 33716364 IJMYKKUHENZLAV-SXGWCWSVSA-N 428.532 4.636 10 10 IJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3cc(C)cc(C)c3)c3ccco3)CC2)cc1 38619972 ZETQPWCKGJIAIP-XMMPIXPASA-N 448.567 4.590 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)SC1=S 40938130 CCHQTDJXEHAETG-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE O=S(=O)(CCSc1ncc(-c2ccccc2)n1CC(F)(F)F)Oc1ccccc1 109623551 FDRKEPQFWDGIGN-UHFFFAOYSA-N 442.484 4.613 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705958228 RAMARHFALHFQCC-MISYRCLQSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)CC12CCC2 715825862 GFWWKPCMFCTUCI-OAHLLOKOSA-N 443.357 4.706 10 10 IJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1OCC 1858589303 MWHVYSYXMWKJPW-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1865678635 VZMSKFZYYKOFEH-WOJGMQOQSA-N 428.916 4.948 10 10 IJCE C[C@H]1CCN(c2ccc(C=CC(=O)O)cc2Br)CCN1Cc1ccccc1 1912064390 RGCBJBILMTXGRY-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1999536776 OODSLHVUVUTRAY-SXSPYAJSSA-N 427.589 4.512 10 10 IJCE Cn1ccnc1COc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1 2040807763 QMPUTJUQOAADHL-UHFFFAOYSA-N 425.510 4.544 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NCc1cc(Cl)cc(Br)c1O 2103910939 GKHRNQLJVXSUKO-ATCWAGBWSA-N 447.801 4.789 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1 2293662245 WULUADBZGNAVBV-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nc2ccc(F)cc2s1 2314563110 AQPGEMQWMDYZGR-UHFFFAOYSA-N 449.579 4.727 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=Cc1cccnc1 2314952132 UOLSQSQTMYOBAZ-FQEVSTJZSA-N 426.501 4.609 10 10 IJCE COc1ccc(OCCN2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1 2323719444 SRSBYTNJPBVDJE-UHFFFAOYSA-N 429.563 4.763 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 2323790758 HIOGMROZYZGQMY-QFBILLFUSA-N 446.638 4.714 10 10 IJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)ccc1O 20071149 VQGQNQAGLUBZIK-CLOONOSVSA-N 432.476 4.666 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 20211196 ZLAWLVWPOOLOCT-JNCKMBBWSA-N 445.935 4.993 10 10 IJCE CC(=O)Nc1cccc2ccc(O)c(N=Nc3cc(Cl)cc(S(=O)(=O)O)c3O)c12 526055097 OLSGVCIHZISXLU-UHFFFAOYSA-N 435.845 4.525 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)c1 526614258 QOVLWMZHDWQELN-DEOSSOPVSA-N 445.471 4.756 10 10 IJCE Cc1c(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1[N+](=O)[O-] 727249824 BPCUOUDWJUWOQO-UHFFFAOYSA-N 427.866 4.620 10 10 IJCE CCc1ccc(OCC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1 1859891842 OPDYYFOGWXTMGG-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 1865665090 ASFLMHUFQCDXPE-XQNSMLJCSA-N 442.515 4.933 10 10 IJCE CC[C@@H](C)[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1865949884 BCVQBCAYNJASNZ-HWPZZCPQSA-N 439.375 4.585 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CN=[N+]=[N-])CC1 1984696318 XPFCGQTUYOUIKU-QFIPXVFZSA-N 447.539 4.756 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cccc(Br)c3O)CCCCC[C@H]12 2153951228 WIBKNGRESPCRTA-UWJYYQICSA-N 439.394 4.957 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)c1cc(Br)ccc1O 2279119978 SAXDLPWVIOHWGH-GOEBONIOSA-N 449.336 4.840 10 10 IJCE O=C(Nc1cccc(Cl)c1)NN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2297576521 IJEHNSGSNYHXTC-UHFFFAOYSA-N 428.926 4.759 10 10 IJCE COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 17095409 LGHWLKXVXYSCPG-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE CCOC(=O)c1sc2ncnc(Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2c1C 71435024 UBRHCVCSOBYMJS-UHFFFAOYSA-N 443.484 4.695 10 10 IJCE Nc1c(OCCCCCCOc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 145330856 IASGXYFAFAFDTF-UHFFFAOYSA-N 431.488 4.768 10 10 IJCE CCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 206447337 CIZKSMMTFWRQOO-XSFVSMFZSA-N 441.574 4.810 10 10 IJCE CCCCSc1cc(O)c2c(c1N)C(=O)c1c(N)c(SCCCC)cc(O)c1C2=O 206682551 CJQSKUWAAUJLDH-UHFFFAOYSA-N 446.594 4.822 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\C(Cl)=C\c3ccccc3)SC2=S)c1 210233874 GULXHNWOXFSLNW-CJRIVRODSA-N 445.905 4.612 10 10 IJCE CSCC[C@@H](NC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C)c1nnc2ccccn12 213985422 LPPSMJAMNRAZAC-OTDUKCBNSA-N 445.592 4.761 10 10 IJCE O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCOCC1 226897571 QYDJJZAFCIWBNM-ZVOVDXHFSA-N 426.516 4.844 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 526297534 RHIBBRVCKGCAEZ-JOCHJYFZSA-N 433.460 4.562 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 793371262 UDYGIRWGJWQINJ-HNNXBMFYSA-N 438.671 4.959 10 10 IJCE Cc1cncc(/C=C/C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)c1 799381405 ZQHFNSMLEJMIHW-GORDUTHDSA-N 431.721 4.776 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c(C)c1 1084368295 CYHJMTCXIPYBGX-UYRXBGFRSA-N 435.936 4.579 10 10 IJCE CCc1sc(NC(=O)CCCCN)c(C(=O)OC)c1-c1ccc(Br)cc1 1866097980 YUBADOGOAUMKCW-UHFFFAOYSA-N 439.375 4.594 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 1878709910 KANURUFVVCFHSC-DOTOQJQBSA-N 445.735 4.663 10 10 IJCE CN(c1ccc(C=CC(=O)O)c(Br)c1)C1CCN(Cc2ccccc2)CC1 1911941328 BMLLCRJVEBAPCV-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]2CCC[C@H]21 1925973162 ZWIIYYXQUXBQHD-CWRNSKLLSA-N 445.785 4.686 10 10 IJCE CN[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1999527904 UCJDWBBTRABWQT-FYYLOGMGSA-N 427.589 4.513 10 10 IJCE CC[C@H](NC[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104259445 DWMNOJNWMMIONW-CPUCHLNUSA-N 427.383 4.841 10 10 IJCE O=C(O)c1cccc(CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2326973181 VELVZIWSINGZOW-UHFFFAOYSA-N 434.336 4.549 10 10 IJCE CC[C@@]1(C)[C@@H](NCc2ccc(C)c(Br)c2O)CCN1C(=O)OC(C)(C)C 2352683706 JZXMEBLQAVYSNZ-YWZLYKJASA-N 427.383 4.731 10 10 IJCE O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(O)c(O)c1 9508799 QDXYEDYIVQGWEM-UHFFFAOYSA-N 429.567 4.822 10 10 IJCE N=C1/C(=C\c2ccc(Br)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 33423986 IURPKEMSFAXFRT-YLQKPOMTSA-N 445.729 4.770 10 10 IJCE CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@H](C)C3CC3)c(Br)cc21 385525032 WIKLWPAGJGKKSJ-SPLOXXLWSA-N 428.374 4.857 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 388874534 QFWFNZJEHWIASN-RDELFYGPSA-N 429.358 4.648 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526362744 FKBMCJYSLLNVJF-DEOSSOPVSA-N 446.503 4.620 10 10 IJCE COc1ccc(O)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c1 728981749 CQZWPTRBLMXJBD-AWEZNQCLSA-N 427.932 4.585 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1084414228 BLCQPEQPSNZFNF-HAHDFKILSA-N 427.504 4.720 10 10 IJCE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705718018 XRZOXNSKKFOLLB-QHCPKHFHSA-N 437.632 4.859 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1OC 1860074654 ARWXDVYVKQBGOR-MHWRWJLKSA-N 436.352 4.872 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 1885865447 JQFSWTWLFHQALW-SWLSCSKDSA-N 447.801 4.837 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NCc1cccc(Br)c1O 1924817540 KCQIQHMLRWPGRM-CRAIPNDOSA-N 439.394 4.718 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(N)c2I)C(C)(C)C)c(O)c1 2078984075 NLUQISAOYZVTLG-MRXNPFEDSA-N 427.330 4.843 10 10 IJCE C[C@@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2115816512 CMSKRQBZNSNYQR-OLZOCXBDSA-N 447.801 4.933 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CNC3CC3)cc2Br)C1 2169169363 YNZFNCSYKHFYLV-NRFANRHFSA-N 428.418 4.802 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)cc2c1 2314647575 CWPHAFHRYXFTCC-UHFFFAOYSA-N 439.606 4.524 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837858 XPOSSHIQVGBNLL-LBPRGKRZSA-N 447.379 4.678 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381136702 IJMXJDRHQPBCPD-JKSUJKDBSA-N 439.394 4.636 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14476179 JMHCKZSHYMVIMQ-AXHZCLLHSA-N 433.508 4.999 10 10 IJCE Cc1cc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl 40317488 WHFMSHTVDOHMFR-NRFANRHFSA-N 425.960 4.556 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc(Br)ccc1O 389763050 ZWPRWNAMVIZETG-JQFCIGGWSA-N 427.383 4.841 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526152403 WYAQNNMNSNXTGL-QHCPKHFHSA-N 448.494 4.966 10 10 IJCE CC(C)(C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 706716609 RZULQDRVXSAWDU-UHFFFAOYSA-N 428.418 4.659 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(-c4ccccc4)cc(Cl)c3O)c2)CC1 1654490530 WWQAFEIFUWGVNA-UHFFFAOYSA-N 449.938 4.633 10 10 IJCE C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc2nc(O)oc2c1 1684267134 FOWOYMQLVDIELF-INIZCTEOSA-N 434.496 4.665 10 10 IJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(C2CC(C)(C)NC(C)(C)C2)C1=O 1858589847 MIXINWJEPQMYRZ-VIZOYTHASA-N 434.656 4.523 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(NC(C)=O)cc3)C1=O)cn2C 1860087185 GFONHALAUJKHOG-KEBDBYFISA-N 437.546 4.551 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC 1860087403 VCFHDIYNRQBHAX-DEDYPNTBSA-N 442.562 4.848 10 10 IJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1 1865678212 ZQMULXDDYTXNSJ-YHYXMXQVSA-N 446.168 4.956 10 10 IJCE COC(=O)c1c(NC(=O)CCNC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)c(C)c1 1865941760 XZGDXDQQNFANFA-UHFFFAOYSA-N 446.569 4.980 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3Br)C(C)C)CC2)cc1 1891734903 FMTVGSLQFIHTAY-NRFANRHFSA-N 445.401 4.621 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(Br)cc(F)c2O)C1(C)C 2138969253 CVLJMLKSFWWQMY-OAHLLOKOSA-N 431.346 4.562 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2210542399 XIQBFTZSHYTNAU-ZRBLBEILSA-N 447.539 4.897 10 10 IJCE O=C(O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2296441580 MOEAXKBUCKZZJK-UHFFFAOYSA-N 446.506 4.701 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2296812432 IHTPFJBSJOWBMX-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)OCC)cc4)o3)C(=O)N=C2S1 33332232 RPAAAWXDFODICB-ONNBZHDSSA-N 436.493 4.543 10 10 IJCE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N)=NC2=O)cc1C 33431008 KJYNJULNDKRDDN-KGENOOAVSA-N 432.549 4.956 10 10 IJCE CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 33808788 RTUXFVZYKRGSKA-QNGOZBTKSA-N 429.549 4.637 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)Nc1ccccc1F 39793846 YCELKENREVOQGS-UNOMPAQXSA-N 438.505 4.926 10 10 IJCE COc1cc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)ccc1O 210499895 BMRNLVPPHNNCHN-NBVRZTHBSA-N 437.583 4.807 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 226831404 JMHCKZSHYMVIMQ-IMWIBFENSA-N 433.508 4.999 10 10 IJCE CN(C)c1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526506183 LJJFXACDMVAEIM-JOCHJYFZSA-N 436.895 4.874 10 10 IJCE CC1(C)CC[C@H](CNCc2cccc(Br)c2O)N(C(=O)OC(C)(C)C)C1 686997549 RWMUOXNLHVIJME-OAHLLOKOSA-N 427.383 4.670 10 10 IJCE CCCCCC(=O)NC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 748327252 AVUXHVBELIVWGX-UHFFFAOYSA-N 442.648 4.826 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c(C)c1 1083990388 NILMIRXARYDCHA-BKUYFWCQSA-N 447.535 4.681 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCc1nc2ccccc2[nH]1 1860086814 JBAUEYBJHXDITE-LFIBNONCSA-N 444.379 4.769 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1 1872956923 UAGVLKCVMVSWAV-UHFFFAOYSA-N 442.393 4.835 10 10 IJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873168152 KXQITMHOJDRRJK-HSZRJFAPSA-N 449.595 4.523 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 1878709912 KANURUFVVCFHSC-RDJZCZTQSA-N 445.735 4.663 10 10 IJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cc(Cl)c(Cl)s3)n2)c1 1891646942 XQFYBBVQFRNAKU-UHFFFAOYSA-N 436.323 4.887 10 10 IJCE CC[C@H](NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2087517780 QSAHYZTUDVTCGU-JQFCIGGWSA-N 427.383 4.889 10 10 IJCE CC[C@@H](NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2127132529 QJBOZRYLJIPZLE-YSVLISHTSA-N 427.383 4.889 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl 2313682352 APPKUMWZRHEIKK-UHFFFAOYSA-N 436.270 4.784 10 10 IJCE CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124755 MPKBVIIVGQDMLW-UHFFFAOYSA-N 429.314 4.664 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140396 BZCOUKSHROKSFG-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349782363 SFGRKWYYVVMWER-LLVKDONJSA-N 435.107 4.576 10 10 IJCE COCCOc1ncccc1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 110816796 VTXCQPJTCGBSML-UHFFFAOYSA-N 444.329 4.529 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526175395 AJCNAZFWXWFHHU-XMMPIXPASA-N 448.494 4.966 10 10 IJCE Brc1cc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1CNC1CC1 687239400 KGBSWXSZXAFQMY-SZPZYZBQSA-N 426.402 4.554 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C(C)(C)C1 708139904 TXVIOWFVNGXYLP-OAHLLOKOSA-N 447.801 4.933 10 10 IJCE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)ccc1Br 1083974537 KDWOGEDDCHXVTR-BOPFTXTBSA-N 427.298 4.547 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1858594246 QIHWOYFVVCSZAT-MFYHJKBNSA-N 438.357 4.891 10 10 IJCE CCCCOc1c(Br)cc(/C=C2\C(=O)N(CC)N=C2C(F)(F)F)cc1OC 1865667695 LDCQEECDXCIMDZ-WQLSENKSSA-N 449.267 4.800 10 10 IJCE COC(=O)c1c(NC(=O)CNC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)c(C)c1 1866033884 MYMBHJZCEJOOOF-UHFFFAOYSA-N 432.542 4.590 10 10 IJCE CC(C)NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1871343118 KETRJCPWBVHYCV-UHFFFAOYSA-N 447.409 4.873 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2O)[C@@H]1C(C)(C)C 1877308249 WXGBOOGGQQXPTP-DOTOQJQBSA-N 427.383 4.668 10 10 IJCE CC1(C)C[C@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923176629 BYONLSIEGHKXGP-AWEZNQCLSA-N 447.801 4.933 10 10 IJCE CCCN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947477607 KGAOSHLSQSBJON-UNMCSNQZSA-N 428.573 4.933 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cc(Cl)cc(Br)c3O)CC[C@H]2C1 1962829627 GYQYJVOCHISRBH-PEYYIBSZSA-N 445.785 4.543 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2044747226 AXEZDBOYUPEYMH-CTUHWIOQSA-N 441.616 4.902 10 10 IJCE C[C@H](NCc1c(O)cccc1Br)c1csc(NC(=O)OC(C)(C)C)n1 2051171114 HLCGISZFXUFNFQ-JTQLQIEISA-N 428.352 4.809 10 10 IJCE CC[C@H](NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2174312164 BETZHWFSXCWYFV-LFVTVUPYSA-N 439.394 4.983 10 10 IJCE COc1ccccc1OCCCOc1ccc(Cl)cc1C=C1SC(=S)NC1=O 2297347379 PEEMLHJMSQDXEL-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 101966737 AGRWRGBFEBBDHP-PTGBLXJZSA-N 446.595 4.619 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708075028 FZYHQFSBRLUBPO-SWLSCSKDSA-N 447.801 4.981 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c(Br)c1 719372126 MEHLQQXIIZCUFA-IHPCNDPISA-N 428.418 4.688 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1)C1CC1 737010313 DTWPDPKHYUXGFH-UHFFFAOYSA-N 444.579 4.969 10 10 IJCE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CNc1cc(Cl)ccc1Cl 1084062286 CMHOQKIGNOGZPU-SOFYXZRVSA-N 439.345 4.993 10 10 IJCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 1447364072 PPECWMZIIVCMTA-OAQYLSRUSA-N 439.353 4.787 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1584260596 GPFFWCXYNKJGJX-IHWMJMDHSA-N 430.321 4.792 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 1858594427 YYRHTUUMJGABRI-BCIXFCFJSA-N 437.634 4.791 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)c(OC)c1 1860084990 DYFFJDRJOXYXEC-UFWORHAWSA-N 426.519 4.600 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc(OC)c1OC 1865668092 GHKUUAHGAPAHGJ-AUWJEWJLSA-N 440.805 4.714 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(C3CC3)C2=O)cc1 1873168354 SBLJXFBRHVCKDN-IBGZPJMESA-N 425.532 4.687 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2Br)cc1C 2080023804 DXBGMOMOMOPWMC-KRWDZBQOSA-N 434.378 4.754 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 2314732215 MZWRHTUZKDMDLN-UHFFFAOYSA-N 448.909 4.831 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1Br 2321702569 XIKZLKJOMLBYGR-UHFFFAOYSA-N 448.363 4.935 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 2323809077 SKEJWVHINVHFDJ-GOSISDBHSA-N 441.574 4.587 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)N(C)C)cc1 2323879793 GZHUGOWVSZSYJA-IBGZPJMESA-N 444.647 4.921 10 10 IJCE CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)cc1OC(C)=O)N2 662162 RGBNOSSQZDJADT-YDIMBITNSA-N 435.476 4.540 10 10 IJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccccc1 33681456 VIHBZQUYRQDDGW-GHRIWEEISA-N 448.516 4.908 10 10 IJCE COc1ccc(N2CCN([C@H](CNC(=O)c3c(C)cc(C)cc3C)c3ccco3)CC2)cc1 38598118 VLCCGDGJRANNLJ-XMMPIXPASA-N 447.579 4.507 10 10 IJCE O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1ccccc1Cl 40847080 YWJNCDJCGMZJAO-ZSOIEALJSA-N 427.309 4.679 10 10 IJCE Cc1ccc(S(=O)(=O)N(/N=N/c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)cc1 59464957 YKXCDVMJCKIWHG-QZQOTICOSA-N 441.425 4.706 10 10 IJCE CC[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311310868 VTZSATOFKOLLPE-QGZVFWFLSA-N 427.383 4.843 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 702101662 ZCIBODOBUBWURL-HFJQGTKSSA-N 428.418 4.688 10 10 IJCE CC(C)CCN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 1084637633 LGIICWXRLFICMS-QJOMJCCJSA-N 441.531 4.989 10 10 IJCE Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 1865671873 GLKUWUJBAGDHCX-DHDCSXOGSA-N 439.231 4.807 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc(OC)c1O 1865677952 LZVJWJSASAUHRZ-ATVHPVEESA-N 434.879 4.897 10 10 IJCE CCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164329 WQULAUGBGIURPP-UHFFFAOYSA-N 433.577 4.825 10 10 IJCE CN1CCc2cc([C@H](N)c3ccc(NC(=O)OC(C)(C)C)c(Br)c3)ccc21 2163133096 JIWHQOBXQRPBPU-IBGZPJMESA-N 432.362 4.837 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2168791538 PIWQWYWDLTUGRV-YZGWKJHDSA-N 428.418 4.688 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 2297470306 OOQVQGFQBKIJSC-UHFFFAOYSA-N 429.958 4.687 10 10 IJCE CCOc1ccc(NC=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 2297507762 MUYODFURZBRBCB-UHFFFAOYSA-N 432.427 4.956 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 2313560412 SELFYUHXLNONLX-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2314739981 CTJFNVWYFRIXCQ-INIZCTEOSA-N 441.574 4.727 10 10 IJCE COc1ccc(OCCN2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1 2323719361 MAIDNISDJDRIBQ-UHFFFAOYSA-N 439.480 4.994 10 10 IJCE CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC)c1cc(Br)ccc1O 2333229466 JSBMZGHDFKEDFX-BFYDXBDKSA-N 445.423 4.546 10 10 IJCE CC(=O)Oc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] 1090982 OBRARIPCPRHDCO-CHHVJCJISA-N 444.237 4.572 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O 15039170 DCZRMSNGDXOSGM-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 40867487 HDOKSRJPFCTDJP-RGEXLXHISA-N 426.563 4.720 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3ccccc3C(=O)OC)=NC2=O)cc1OC 208352430 BOGQUGMOKPDTNF-XSFVSMFZSA-N 440.521 4.743 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C\C(=O)O)cc2Br)C1 323430103 WEVKBYUUPNDENY-SECOEOQKSA-N 429.358 4.505 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)O)cc1Br 382627390 UZFLLZOQRPISJU-KAMXEHQASA-N 429.358 4.648 10 10 IJCE Cc1cc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1-c1ccccc1 746427241 UKRNULOEIONXOE-UHFFFAOYSA-N 446.551 4.578 10 10 IJCE CCc1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1860748972 QWFQTOLJWBDIDA-UHFFFAOYSA-N 436.533 4.958 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(N)c2I)cc1C 2079999584 XKDNUOYXAOQEIF-SFHVURJKSA-N 439.341 4.905 10 10 IJCE C[C@@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2152787882 AWUAHBAGRSZGCX-MRXNPFEDSA-N 438.360 4.816 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S 2293381540 AKRNLNPANTVPHH-UHFFFAOYSA-N 433.938 4.789 10 10 IJCE O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)SC1=Cc1c[nH]nc1-c1ccccc1 2296145275 ZRGNFVBUYYAYIY-UHFFFAOYSA-N 449.967 4.523 10 10 IJCE O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccccc1I 2313507624 XUAWOHROSPKGRE-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE COc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1 2314827628 JCGPJTLMUAOWOB-UHFFFAOYSA-N 440.590 4.833 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352944047 BYUMRKCLYOQSFX-KOMQPUFPSA-N 427.383 4.636 10 10 IJCE COC(=O)C1=C(C(=O)OC)[C@H](c2ccccc2)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 33766923 RHPRKMPFXMHCCZ-DQEYMECFSA-N 443.499 4.640 10 10 IJCE CN(C)c1ccc(CNc2cc(I)ccc2Br)cc1 388300039 AJPUDSPSYHMFEP-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE CO[C@](C)(CNCc1cc(Cl)cc(Br)c1O)COCc1ccccc1 708206155 XXEZKNISEXGEEF-LJQANCHMSA-N 428.754 4.520 10 10 IJCE CC[C@@]1(CNCc2cc(Br)cc(F)c2O)CCCN1C(=O)OC(C)(C)C 715815698 YYBRCUCGESZLGD-IBGZPJMESA-N 431.346 4.563 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 717439665 CUVLXXLAERMEKC-JRGCBEDISA-N 428.418 4.973 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)[C@H]1C[C@@H]1C 1636229424 GLJOJYFBIZXYRB-LMKMVOKYSA-N 429.520 4.920 10 10 IJCE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CNCc1cc(Cl)cc(Br)c1O 1857873111 QMNCAQLSNJZRHX-SRCQZFHVSA-N 432.786 4.902 10 10 IJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1C 1860344917 HKXJQOSXOHRXQD-UHFFFAOYSA-N 448.526 4.830 10 10 IJCE Oc1cccc2c1[C@@H](Nc1ccc(Br)cc1I)CC2 2231665874 ZJEXIPFQQNIUKX-ZDUSSCGKSA-N 430.083 4.859 10 10 IJCE CCOc1ccccc1C=C1SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O 2296053653 WLDWQFLNXMFKCT-UHFFFAOYSA-N 441.984 4.840 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccccc1O 2296756285 WZFIGQOSCYOQSW-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE Cc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 2297346802 GQFAOXVVSYFFMH-UHFFFAOYSA-N 429.480 4.592 10 10 IJCE C[C@H]1CCCN(C2=NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)S2)C1 2314433809 UPDXSRQBQSUCQG-ZDUSSCGKSA-N 431.539 4.527 10 10 IJCE Cc1ccc(CN[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(O)c1Br 2380799157 WMRFTEFOZUZBCS-BMGDILEWSA-N 439.394 4.587 10 10 IJCE Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15037498 MGESTSXHGUHTLM-BOPFTXTBSA-N 432.954 4.584 10 10 IJCE Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C(O)=NC2=S)c1C 33334428 MATWTPZQKPKOEF-MOSHPQCFSA-N 430.533 4.778 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S)NCc1ccccc1 210689325 CJVUXONOUNFKBV-PXLXIMEGSA-N 444.581 4.871 10 10 IJCE CCCN[C@@H](C)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 706702252 ZIDIWYXYRMVLCS-SFHVURJKSA-N 428.418 4.832 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(c2nc3ccccc3s2)CC1 727375391 BRKDBZUMIXAXCK-UHFFFAOYSA-N 434.609 4.819 10 10 IJCE O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 780493552 ABYTWUULMASQSY-MRXNPFEDSA-N 430.476 4.615 10 10 IJCE Cc1oc2c(CN3CCCC[C@@H]3c3ccnn3C)c(O)ccc2c(=O)c1-c1ccccc1 799148645 FCPDLARIORILSJ-JOCHJYFZSA-N 429.520 4.935 10 10 IJCE Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCc2ccc(N(C)C)cc2)c(O)n1 1135643085 PGUBTBKSUZDZCC-UHFFFAOYSA-N 430.552 4.714 10 10 IJCE COc1cc(NC(=O)[C@@H]2CCc3c(c4cc(Cl)ccc4n3C)C2)cc(OC)c1OC 1858153789 VRLOXGCJIPOZOK-CYBMUJFWSA-N 428.916 4.601 10 10 IJCE O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 1858591143 ZIJXGTGFHAGTOA-OQLLNIDSSA-N 434.336 4.549 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1OCC 1860086911 OPAACFRGKDNWGE-XDHOZWIPSA-N 443.546 4.676 10 10 IJCE CCN(CC)c1ccc([C@@H](O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999522667 CSDHRBBSUGVPQE-DHIUTWEWSA-N 428.573 4.676 10 10 IJCE Cc1ccc(Cn2nc(C(=O)OC(C)(C)C)c(Br)c2C(F)(F)F)c(O)c1 2079170803 CNLDBSPTHQUZTH-UHFFFAOYSA-N 435.240 4.682 10 10 IJCE CN1CCc2cc([C@@H](N)c3ccc(Br)cc3NC(=O)OC(C)(C)C)ccc21 2163136666 VUQYCKOLEYVZSB-LJQANCHMSA-N 432.362 4.837 10 10 IJCE CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 2297578784 RQXFLACBMNMLBN-UHFFFAOYSA-N 431.414 4.580 10 10 IJCE Cc1ccc(CN=c2[nH]c([C@H](C)NC(=O)OC(C)(C)C)cs2)c(O)c1Br 2352682067 XYGYVIWXYJLDJB-NSHDSACASA-N 442.379 4.539 10 10 IJCE Cc1ccc(CNCC2(CNC(=O)OC(C)(C)C)CCCC2)c(O)c1Br 2352689828 ZXYSWUFVZAMODZ-UHFFFAOYSA-N 427.383 4.638 10 10 IJCE Cc1cc(CC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 1299379244 GQAPPLUCDBMVIE-OAQYLSRUSA-N 439.943 4.527 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)c2c(Cl)cc(Cl)cc2Cl)c2nccn2C)cc1 1865990692 VZXFFXHRJLHSKU-GOSISDBHSA-N 437.758 4.966 10 10 IJCE CCc1c(C2CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079826874 BGMGJBRTBHWARV-UHFFFAOYSA-N 436.215 4.700 10 10 IJCE Cc1ccc(CNC2([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(O)c1Br 2381129171 GIYVDWVVKQUKQU-MRXNPFEDSA-N 439.394 4.732 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccccc1 15043759 NVIBJNAYMVSXQO-CYVLTUHYSA-N 426.563 4.793 10 10 IJCE O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 33295581 XPKNKANDRAFQRK-ZDLGFXPLSA-N 440.814 4.530 10 10 IJCE CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OCC 40888677 ZTRPSYWYJWGMIM-UYRXBGFRSA-N 449.594 4.561 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 54620625 CNODWLKZBPBPSL-XMMPIXPASA-N 443.503 4.730 10 10 IJCE CCN(C)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)c1 110152872 IXGKTIXBAXCULU-UHFFFAOYSA-N 437.565 4.813 10 10 IJCE COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)CC2)cc1 110474481 BXZJJKZMVRBLHT-FQEVSTJZSA-N 430.548 4.915 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)cc1Br)C1CCN(Cc2ccccc2)CC1 312766210 YYIQJSRWPHYOKQ-CSKARUKUSA-N 429.358 4.648 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715029270 SERSDGCPOFLTKO-HFJQGTKSSA-N 428.418 4.960 10 10 IJCE CC(=O)c1cccc(OCc2cc(C(=O)NCc3cc(C)n(-c4ccccc4)c3C)no2)c1 1132268214 WVEGGDRUXGTXAL-UHFFFAOYSA-N 443.503 4.794 10 10 IJCE CC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC12CCCCC2 1567273878 PCYXEQMBHZBXFZ-UHFFFAOYSA-N 427.976 4.755 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 1860086258 UBYHMRARORNYOU-XSFVSMFZSA-N 440.590 4.721 10 10 IJCE CCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421664 JZQOOKQWCYIJBD-UHFFFAOYSA-N 442.563 4.762 10 10 IJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422403 VXCKTJQLRVLXFN-UHFFFAOYSA-N 441.531 4.766 10 10 IJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccc(Cl)c1O 1951731516 JXOPBSIOMGLEPT-XMMPIXPASA-N 437.879 4.884 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@H]2CCCC[C@H]21 2179399581 ZQNTUXPJBJZPOS-LZLYRXPVSA-N 439.394 4.670 10 10 IJCE C[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)c1ccccc1O 2192611808 STOCECPZPQNRAV-GFCCVEGCSA-N 435.318 4.993 10 10 IJCE O=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2296038231 RVBVZOSBNMCSBC-UHFFFAOYSA-N 446.915 4.642 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O)C(=O)O 2314931100 CGWRHOZVQNYTEI-PBHICJAKSA-N 427.547 4.891 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1OC 2321733952 NZPMAXNURRVHMU-UHFFFAOYSA-N 433.576 4.840 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Br)c1O 2323790706 DASMHGVQCCUMAC-GWCFXTLKSA-N 442.400 4.943 10 10 IJCE CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124728 JWYUIWIZCSZSDQ-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Br 2380811338 KBWUTIIJXHCYOF-USXIJHARSA-N 439.394 4.731 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2c(NCCC)nc3c(C)cccn3c2=O)SC1=S 33474140 NHLLQSSGMAMTQQ-SAPNQHFASA-N 444.626 4.606 10 10 IJCE Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 168524706 JDSAMOMFSAJDAB-UHFFFAOYSA-N 429.608 4.625 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 708159241 WPWMOLSIQUZAMP-RISCZKNCSA-N 433.774 4.591 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715052841 DAKPJLFXAPGQLS-BOCKYXSRSA-N 429.402 4.993 10 10 IJCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 748859758 QSAHMUMEILNGKL-UHFFFAOYSA-N 443.319 4.521 10 10 IJCE CNC(=O)Oc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 793694691 GJVCRZPGOVOWEK-NRFANRHFSA-N 443.463 4.564 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1OCC 1860087045 WVUMMOLQZJHVLT-UDWIEESQSA-N 445.562 4.907 10 10 IJCE C[C@H](NC(=O)CCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCCC1 1866251084 YWKOHBDQFLWWOF-KRWDZBQOSA-N 446.547 4.656 10 10 IJCE CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 1891510223 GSKNDSGZEVAHNM-UHFFFAOYSA-N 431.370 4.751 10 10 IJCE C[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923143319 WJRUBKREKJUCJT-RISCZKNCSA-N 433.774 4.543 10 10 IJCE CC[C@H](N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21)c1cc(Br)ccc1O 2146660259 FWVASKPPYJHYEC-IAAVTCLWSA-N 439.394 4.983 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2164517373 ZFNCTYKRCMYPFI-BENORSOKSA-N 439.394 4.887 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226263759 GSPYTEZBRJYEDL-IIAWOOMASA-N 431.346 4.543 10 10 IJCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 2297471275 KWVLVVSCPIWTLG-UHFFFAOYSA-N 429.549 4.915 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)c1)C(=O)O 2314931201 MFSKJYYMCGBXHC-RDTXWAMCSA-N 427.547 4.891 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc(OC)c1O 2332147748 VDGZZJJKYRZZJY-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 20070884 GTQLLNKHOIZCCS-FQRUVTKNSA-N 446.503 4.969 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(O)c1 38169997 YGFJPOFISRGDHF-YVLHZVERSA-N 429.929 4.563 10 10 IJCE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 58883555 YFHJNZLTWWFIKU-HAVVHWLPSA-N 433.548 4.908 10 10 IJCE O=C1S/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 108537138 ISVYMBSFQWUPLR-MOSHPQCFSA-N 441.484 4.961 10 10 IJCE O[C@@H](CNc1ccccc1OCc1ccccc1)COc1cccc(Br)c1 313670470 NFTKSFVEUDLRTF-IBGZPJMESA-N 428.326 4.880 10 10 IJCE CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 745649780 XUHNAXQXKBJXLS-HTAPYJJXSA-N 429.536 4.501 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1860824881 AILQHVSSUHUMPG-DEDYPNTBSA-N 440.590 4.628 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080035464 RMMSLVRBYFZJHG-AWEZNQCLSA-N 448.283 4.721 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190562971 ZUUJLYGDMPTBIW-CGBFIWBNSA-N 433.365 4.867 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 2313683384 YSLHUBRJCDDAKK-UHFFFAOYSA-N 434.521 4.565 10 10 IJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=S 2314769196 OPZJQMLRLCDNLM-OAQYLSRUSA-N 449.553 4.964 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2314831202 FTURYSUDFZOYQL-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE O=C(O)COc1ccccc1C=C1SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 2314932822 ZFURNHKJHSXWHO-UHFFFAOYSA-N 440.329 4.863 10 10 IJCE Cc1ccc(CNC[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352950888 ZIKRIDXCFYTJEC-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 16909816 RKQFVIUXIUNZTF-OVCLIPMQSA-N 439.436 4.575 10 10 IJCE CCCc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598116 WSIMJGRHXNINRL-RUZDIDTESA-N 447.579 4.534 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 40940018 VBMWLSCHFWDNRS-SFQUDFHCSA-N 432.954 4.675 10 10 IJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C[C@H]1CCCO1 208274762 XLZZAQYRIDKMDT-SQVRNEIYSA-N 439.606 4.605 10 10 IJCE CC[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)c1cc(Br)ccc1O 387945873 ZQNVMLFUNMNDNJ-JQFCIGGWSA-N 427.383 4.983 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526282974 YQCPETLVQJACFN-DEOSSOPVSA-N 440.503 4.695 10 10 IJCE Cc1cc(CCNC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1 747579871 DEJHBXSWIOVDMS-KKIUXKEOSA-N 437.609 4.777 10 10 IJCE CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(C(N)=S)[C@H]3c2ccc(N(C)C)cc2)cc1 2296887388 MVHSLZMRKZFDTM-UPVQGACJSA-N 433.625 4.659 10 10 IJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1C 2313548344 SUMRUOVZDJTTOA-UHFFFAOYSA-N 441.325 4.856 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S 2323865985 CGDIIIOMALCWRU-OAHLLOKOSA-N 438.357 4.891 10 10 IJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)c1O 2332124676 COWKJTFLCZTYNX-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@H]2CN(Cc2ccccc2)C3)c(O)c1Br 2380812579 XCCCJXNVMSLDFQ-NZQKXSOJSA-N 429.402 4.855 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 40938153 ROZWEOZFZXTELN-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CNC(=O)Nc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 586636348 OCVKSQNRUINQRA-UHFFFAOYSA-N 437.521 4.822 10 10 IJCE CC1(C)C[C@@H](NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)C1 715757294 FUXCJACMGKUTRL-HNNXBMFYSA-N 445.373 4.809 10 10 IJCE Nc1ccc(Cn2c(-c3ccc(I)cc3)nc3ccccc32)cc1 953079331 VDSFWNWVOCUENV-UHFFFAOYSA-N 425.273 4.938 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(N=Nc2ccccc2)ccc1O 1084456237 MDNRELWBGZEJSA-PDZTXWHVSA-N 430.395 4.613 10 10 IJCE COc1ccc(N2CCN(C[C@H]3C(=O)O[C@H]4C[C@]5(C)CCC[C@@H](C)C5=C[C@H]43)C[C@H]2C)cc1 1565538742 KROIZQLPVOFDSY-VHVACEPVSA-N 438.612 4.520 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-n5c(C)ccc5C)sc4c3)CC2)cc1 1860177330 ICLJCGNHUNZGHR-UHFFFAOYSA-N 446.576 4.675 10 10 IJCE O=C(N[C@]1(c2c(O)c(Cl)cc(Cl)c2Cl)C[C@H]1C(=O)O)OCc1ccccc1 1952761732 SDCNJOSLPXPDNH-XTZNXHDOSA-N 430.671 4.579 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(Br)c1O 2027286087 JLVMHDPQXPSWEG-CABCVRRESA-N 433.774 4.734 10 10 IJCE Oc1cccc(F)c1Cn1nc(C2CCC2)c(C(F)(F)F)c1I 2079698480 PQOCIBLUBSMLCM-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE C[C@H](O)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2163345710 XQDSPLIBOXRARF-SFHVURJKSA-N 429.402 4.995 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](NCc3cc(Br)cc(F)c3O)(C2)C1 2203521560 QXUNULGRPUEEOE-RNODOKPDSA-N 443.357 4.563 10 10 IJCE CC[C@@H](N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226270009 GSPYTEZBRJYEDL-OFQRWUPVSA-N 431.346 4.543 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc(CNC3CCC3)cc2Br)C1 2240022833 AZBQKQYMTRUDQU-NRFANRHFSA-N 428.418 4.802 10 10 IJCE N=C1C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccco3)=NN12 2297348089 GKQXHUUMAGNIJY-UHFFFAOYSA-N 426.523 4.965 10 10 IJCE COc1cccc(NCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2313501870 CTLBHSBRAMZREM-UHFFFAOYSA-N 435.368 4.729 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)N1CCCCC1 39793765 BDXFGVDPXAAIPM-HKWRFOASSA-N 444.622 4.612 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc1 59862166 ROPZTQIZFYHCQV-LFIBNONCSA-N 443.297 4.971 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)c1 102446834 IASRCAMWJCXPSB-WTCJYIDHSA-N 443.507 4.901 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(Br)ccc1O 389795857 UEKWLQPBAJPBMJ-XOKHGSTOSA-N 427.383 4.841 10 10 IJCE O=C(Nc1nc(C(F)(F)F)cs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726609191 NSVJSKGQHAMAON-UHFFFAOYSA-N 436.406 4.554 10 10 IJCE CN(C)c1ccc(CNC[C@@H]2C[C@H]3CCN2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 1616156469 VEUUVHDNQCONHH-VJTSUQJLSA-N 435.660 4.501 10 10 IJCE COc1ccc(Br)cc1CCC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891243010 FHGGPZOHMREITG-UWJYYQICSA-N 443.385 4.695 10 10 IJCE CCN(CC)c1ccc([C@H](N)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764926 SKJZDNXFRQZJDO-ZEQRLZLVSA-N 440.632 4.558 10 10 IJCE COc1ccc(O)c([C@@H](C)n2nc(C3CCCCC3)cc2I)c1 2070176001 ARUNKMUCSVCGDE-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1cccc(Br)c1 2297296757 HAQXNDHGTWFDHI-UHFFFAOYSA-N 447.379 4.679 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3C)c2)SC1=S 2314761670 WPLIWGWUUDTMER-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1 2321680725 WRIVMFZKVGBVDU-UHFFFAOYSA-N 440.590 4.648 10 10 IJCE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)cc1 19855477 HDEMKNXOLHNBEJ-UHFFFAOYSA-N 432.911 4.971 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(Cl)c3)C(=N)N2O1 20236771 ZEERNJWHZYSFLU-GUOILJMFSA-N 437.883 4.557 10 10 IJCE COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3O)CC2)cc1 34683537 LNRYNOOYEVTRPT-UHFFFAOYSA-N 434.511 4.851 10 10 IJCE CC1CCN(C(=O)C2=CN(c3ccc(F)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1 65096320 PWBXZOHTMSMKQD-UHFFFAOYSA-N 434.920 4.504 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(C)cc1C 205946039 CHEAHMPOGLVQAJ-RCCKNPSSSA-N 434.521 4.565 10 10 IJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526624661 LTVAFKXKEYTOGR-QHCPKHFHSA-N 448.544 4.587 10 10 IJCE CC[C@H](C)N(Cc1ccc(N2CCC(OC)CC2)cc1)Cc1nc(O)c2ccccc2n1 1459696631 VCHVLBWYLKKEIY-IBGZPJMESA-N 434.584 4.751 10 10 IJCE Brc1cc(CNC[C@@H]2CCN2Cc2ccccc2)ccc1N1CCCCC1 1461645836 CAJRVLFBSJQKID-NRFANRHFSA-N 428.418 4.804 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(O)nc3c2CCCC3)cc1 1543115265 JUOOLGVJUSXEST-UHFFFAOYSA-N 431.536 4.588 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666074 BICMHMUBKWHUPV-MHWRWJLKSA-N 445.313 4.758 10 10 IJCE CNCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148926156 ASSPFBCDIDDUIN-TZIWHRDSSA-N 428.418 4.517 10 10 IJCE C[C@@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@H](C)CN1Cc1ccccc1 2152187168 PPTQHOIOFXCVHD-IAGOWNOFSA-N 429.358 4.646 10 10 IJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNCc1cc(Cl)cc(Cl)c1O 2234595160 TWBXJPFQDYECRB-ZDUSSCGKSA-N 425.303 4.823 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1 2293682613 MWGDRBLORNHATC-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1)C(=O)O 2314929227 JKHMKWOCGAPMIC-INIZCTEOSA-N 433.938 4.988 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c(OC)cc1Cl 2318755970 FIMNLWYRXKTIIL-UHFFFAOYSA-N 434.970 4.829 10 10 IJCE CC[C@@H](NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2328649975 QJBOZRYLJIPZLE-UKPHBRMFSA-N 427.383 4.889 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Br)c(OC(C)C)c(OC)c1 2332127391 SUEWAMSZPUCMAC-UHFFFAOYSA-N 444.329 4.836 10 10 IJCE COc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2)C1=S 33391440 YHUWIRJGTSQDEW-UPPKGELVSA-N 440.524 5.000 10 10 IJCE Cc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 33448148 IFAQWIDFWBAVOW-YBFXNURJSA-N 439.518 4.997 10 10 IJCE CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OCC)c(OC)c3)SC2=S)c1 206263327 RCXNEBGXXQAYSU-XDHOZWIPSA-N 443.546 4.676 10 10 IJCE COc1ccc(O)c(C2=NN3[C@H](c4ccc(OC)c(OC)c4)Oc4ccccc4[C@H]3C2)c1 245310804 KTCDYIGBJPZNQM-NLFFAJNJSA-N 432.476 4.660 10 10 IJCE Cc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c2C)c1 248124175 UEFATLBOTFWNNI-OAQYLSRUSA-N 431.536 4.564 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C\C(=O)O)cc2Br)C1 323430101 WEVKBYUUPNDENY-PXAMLJHWSA-N 429.358 4.505 10 10 IJCE COc1ccc([C@H](C)Nc2cc(Br)ccc2I)c(O)c1 380410838 HGLYAVZDLAAXLP-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699026 JTUQLKUNMGFTDT-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705959389 YEUWLPBNDKYNSC-DUXKGJEZSA-N 428.418 4.688 10 10 IJCE CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 745646195 CAJCSTCBHHNKSY-GAJHUEQPSA-N 443.563 4.625 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnc(-c2ccccc2Br)o1 917074590 BDIWENHQQJQDSY-UHFFFAOYSA-N 429.362 4.976 10 10 IJCE CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 1084300342 MEBKUVRNFCRBSX-RGEXLXHISA-N 432.501 4.968 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)C(C)(C)C 1705605356 INOFYWXPRCFKES-QHCPKHFHSA-N 433.600 4.873 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671493 FIQZLYMSGOHEBR-HZHRSRAPSA-N 440.499 4.605 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3ccc(Br)cc3O)CCCCC[C@@H]12 1967843682 KNDQKXIYPSSBNI-NQIIRXRSSA-N 439.394 4.957 10 10 IJCE CC1(C)C[C@H](CNCc2cc(Br)ccc2O)CN(C(=O)OC(C)(C)C)C1 2115924093 LFZLTNIQSPXWIM-CQSZACIVSA-N 427.383 4.528 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Br)cc(F)c3O)CCC[C@H]12 2154573325 IVPRZLLRHOSMKC-OXJNMPFZSA-N 443.357 4.706 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOc3cc(C)ccc3C)c(OC)c2)SC1=S 2297335475 HVHHKKLAFHVTLH-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1)C(=O)O 2314932410 VRNDVQGMWURWRI-SFHVURJKSA-N 441.530 4.537 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)c1 2321718057 QDYBXUSGCKOHQJ-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(Br)c1O 2323790707 DASMHGVQCCUMAC-GXFFZTMASA-N 442.400 4.943 10 10 IJCE O=C(O)c1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F 2332131835 KTSZMAKSKDEBIN-UHFFFAOYSA-N 426.753 4.521 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141139 IVGZSBQSDUVGBA-UHFFFAOYSA-N 441.871 4.601 10 10 IJCE CN(C)c1ccc([C@@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2c2ccccc2)cc1 13120488 SRPNYYOWOVUYIP-QFIPXVFZSA-N 425.488 4.920 10 10 IJCE O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33585629 MTBVXVAMYRQPPU-JJXKIVJUSA-N 449.601 4.593 10 10 IJCE CC[C@@H](NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1cc(Br)ccc1O 398840253 OLVAVMRUNNQWBM-WBVHZDCISA-N 431.371 4.676 10 10 IJCE Cc1cccc(NC(=O)CN(C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1C 789918173 FKVVOVCHWSKETB-UHFFFAOYSA-N 432.568 4.534 10 10 IJCE CC(=O)N1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 1525998066 MKXPDSZHQDLEGT-QHCPKHFHSA-N 435.955 4.904 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2ccc(Br)cc2O)CCC(F)(F)CC1 2201473891 MFKVAIRKYABOKQ-UHFFFAOYSA-N 449.336 4.717 10 10 IJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)CCCOCc3ccccc3)cc2)CC1 2258193763 PHHJDCVDFCQICE-XMMPIXPASA-N 440.584 4.774 10 10 IJCE Cc1ccc2[nH]c(C)c(C=C3C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2c1 2294593369 QHQFQSPDRORCAR-UHFFFAOYSA-N 443.532 4.791 10 10 IJCE COc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c1 2296756158 DYZJQSRCGHEDCE-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc2ccccc12 2313682791 KTTUBOUFYKENPP-UHFFFAOYSA-N 429.476 4.500 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccc(Cl)cc1 2314831273 HHSXQKGLLXSCSB-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE CCC1=NN(CC(C)C)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131461 WAVADAVNTRRDHT-UHFFFAOYSA-N 430.140 4.565 10 10 IJCE Cc1ccc(CN[C@H]2CCCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352942421 DXZLGHXAYXRHJA-INIZCTEOSA-N 427.383 4.732 10 10 IJCE Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2ccccc2)cc1 27521931 MEVABVAPVJZIJB-PBMMVTTKSA-N 432.545 4.562 10 10 IJCE COc1ccc([C@H](NC(=O)Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2nccn2C)cc1 96990956 UMMRRXKYYDQGKW-SANMLTNESA-N 442.563 4.593 10 10 IJCE CCOc1cccc(CNc2ccc(I)c(Br)c2)c1O 381910421 GLVIVCMMRQDHLG-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705900337 GZZSQULNXNGPMO-ZQMYSKGWSA-N 429.402 4.851 10 10 IJCE Cn1ncc(Br)c1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 778249269 XNCPKAKEKGPUJQ-LFYBBSHMSA-N 449.182 4.895 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1 1860085224 WTOFKJYIZTYXIQ-IZZDOVSWSA-N 427.872 4.624 10 10 IJCE CCC1(CNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2057849368 KRFMZMKCRDCWCH-UHFFFAOYSA-N 433.774 4.545 10 10 IJCE O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 2314482623 PZHPXSPTVLPASL-UHFFFAOYSA-N 442.846 4.921 10 10 IJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(OCCc3ccccc3)c(OC)c2)cc1 2332113660 UUWZTFSQFXBPRI-UHFFFAOYSA-N 442.515 4.585 10 10 IJCE C[C@H]1CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382590962 ACVQPMNPJJBVQM-PXAMLJHWSA-N 429.358 4.648 10 10 IJCE C[C@H](Nc1cc(Br)ccc1I)c1ccc(O)cc1O 388713596 VHWWLJJJZDIPGQ-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 705901365 QLJWYUANGWWLEJ-VSDWSMLSSA-N 429.402 4.851 10 10 IJCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1162114618 ORVJPQLYDYAMQM-AWEZNQCLSA-N 431.458 4.695 10 10 IJCE CC(=O)N(c1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1)C1CC1 1466730566 ANHZZHMCXZVPJI-UHFFFAOYSA-N 430.552 4.974 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)sc(C)c1-c1ccccc1 1860760282 ZFARLYURNQXKFV-RHSMWYFYSA-N 428.554 4.534 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)cc1 1872882322 DKVDGZWZQJSGIY-OAQYLSRUSA-N 429.564 4.508 10 10 IJCE CCN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029553169 MSGKUSVFPAJROI-HSZRJFAPSA-N 439.600 4.602 10 10 IJCE CCNCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c(Br)c1 2234702640 LIPVMVFAZYCDJT-OYRHEFFESA-N 428.418 4.802 10 10 IJCE COCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 2296701079 LDHMYVDIDKPBEC-UHFFFAOYSA-N 447.965 4.797 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC)C(=O)O 2314932547 NRMBPVQTMYLFLD-MRXNPFEDSA-N 443.546 4.651 10 10 IJCE C[C@@H](c1ccccc1O)N(C)Cc1ccc(I)c(Br)c1 2377315837 KJFFLWDXJABAJE-NSHDSACASA-N 446.126 4.952 10 10 IJCE Cc1ccc(CNC[C@H]2CN(Cc3ccccc3)CC23CCC3)c(O)c1Br 2381131348 MITYBSWWQBYHQP-FQEVSTJZSA-N 429.402 4.855 10 10 IJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(O)cc2)C1=O 6191731 KVRAWKTVWVOQJW-MJOZVEEZSA-N 438.574 4.959 10 10 IJCE CN1C(=O)/C(=C(\Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)SC1=S 211953956 JYNBBNJIMVOCEX-NXVVXOECSA-N 436.480 4.631 10 10 IJCE CCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 312729446 SHTTYPNDTRRDKY-RTWAWAEBSA-N 428.418 4.517 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 399748574 CUVLXXLAERMEKC-WMQCIHAUSA-N 428.418 4.973 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(C(F)(F)F)cnc3O)cc2Cl)C1 1556369990 ZMLRZIPLGCUYJO-GFCCVEGCSA-N 427.854 4.626 10 10 IJCE Brc1cc(CNCc2ccn(-c3ccccc3)n2)ccc1N1CCCCC1 1656984988 RAMABRGANUOZQJ-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)c(C)c1 1857992578 UFPOYWCUGOSIDM-UHFFFAOYSA-N 435.549 4.505 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 1865667784 PFHBDUNVCYSDBQ-WOJGMQOQSA-N 428.916 4.948 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865672995 PNABASMSTLAWLZ-CJLVFECKSA-N 444.487 4.556 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677570 QXJGFOKCTVKULA-HYARGMPZSA-N 446.478 4.682 10 10 IJCE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865860118 KYFNPISNXVCMNR-XMMPIXPASA-N 445.563 4.934 10 10 IJCE CCCCCCn1cc(OCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870658714 FERYAFSHUMPAFJ-UHFFFAOYSA-N 441.616 4.548 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)C2=O)cc1 1872956617 PBXPSYIHRULPMP-UHFFFAOYSA-N 437.293 4.699 10 10 IJCE COc1cccc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1951657934 PIPDYUSSCDCFIQ-QFIPXVFZSA-N 447.487 4.845 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2037292417 JDWWBBHGMZHUGA-NWDGAFQWSA-N 433.774 4.543 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1 2053622339 VIHBZQUYRQDDGW-UHFFFAOYSA-N 448.516 4.908 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNCc2cc(Br)ccc2O)CC1 2178642262 SKDNYGHLVLTVFP-OYOVHJISSA-N 445.373 4.668 10 10 IJCE CC[C@H](NC[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2200855876 DCARNKUFJCRLOR-LFRPXUGBSA-N 439.394 4.843 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)SC2=S)c1 2313610531 YRCMXGJZRCLMQJ-UHFFFAOYSA-N 445.562 4.905 10 10 IJCE Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 33333218 VAKVZBZFEDRNJB-OCKHKDLRSA-N 435.867 4.574 10 10 IJCE COC(=O)CCCCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)SC1=S 40928042 CMBPVXXLEAYNSK-XMHGGMMESA-N 429.563 4.783 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705965205 DHYFNECWCYTZEU-NLSFWIRASA-N 428.418 4.817 10 10 IJCE Cc1cc(C(=O)COC(=O)c2cc(O)nc3cc(F)ccc23)c(C)n1-c1ccc(F)cc1 740257367 CWASKFBEXDSYNT-UHFFFAOYSA-N 436.414 4.666 10 10 IJCE Cc1cnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nc1O 1166227433 HGWPFYQLVWMATA-AWEZNQCLSA-N 433.480 4.863 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934046 XACNKJSXZNUAMJ-YTBHAWNYSA-N 425.504 4.796 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)sc(C)c1-c1ccccc1 1860760284 ZFARLYURNQXKFV-YOEHRIQHSA-N 428.554 4.534 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)N2CCCCC2)cc1 1866055593 YIGJORWATYOJAX-ZDXQCDESSA-N 426.004 4.853 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](N)c1ccc(N2CCCC2)cc1 2044756276 JRKYMANGHJLOSU-ISKFKSNPSA-N 439.600 4.787 10 10 IJCE CC[C@H](N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2097282759 GWMDEXPKWOMZFD-ZBFHGGJFSA-N 445.423 4.548 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2ccc(Br)cc2O)C1 2100267601 XREUJCBAZQLTSE-YOEHRIQHSA-N 427.383 4.718 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163309006 WRHRNJBMNVDULF-MBSDFSHPSA-N 429.402 4.995 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cccc(OCCCOc2ccc(Cl)cc2)c1 2293344002 FULFVBATNRBASR-UHFFFAOYSA-N 448.906 4.649 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 2296754862 KYJNZPJCXIFMCS-UHFFFAOYSA-N 432.954 4.584 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 2297349729 PALWYBNKIAJTQS-UHFFFAOYSA-N 429.563 4.512 10 10 IJCE COc1cc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)ccc1OC(C)C 2314741386 YLUCUAQGIVRJRD-UHFFFAOYSA-N 449.594 4.560 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c1 2321718130 GTUSMUQOSRTDOW-UHFFFAOYSA-N 428.491 4.566 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 2323809078 SKEJWVHINVHFDJ-SFHVURJKSA-N 441.574 4.587 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c(O)c1Br 2352675542 HNPMCWHQAOFCPJ-RDJZCZTQSA-N 427.383 4.587 10 10 IJCE N=C1/C(=C\c2ccc(OCCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 35228529 FXQQJQBBMORCFJ-ARFHJRQPSA-N 439.924 4.965 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226736132 VHSMKPIQVKBGQU-WHSLLNHNSA-N 447.944 4.761 10 10 IJCE CC(C)(C)OC(=O)NCCc1ccc(CNCc2cc(Br)ccc2O)cc1 380624160 APAALVHERKDURW-UHFFFAOYSA-N 435.362 4.512 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526245147 CCJQXNSEQCKQOW-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CC[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 709439199 SNJUKWSERWKQCU-OWIUFQIYSA-N 439.394 4.983 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1O 768742184 ZLGVAYYDCIIMIK-OAQYLSRUSA-N 435.421 4.930 10 10 IJCE Cn1ncc(Br)c1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 779204732 RYJWGJWBHOWLDN-SXGWCWSVSA-N 430.352 4.742 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1472686919 KWOVEIWFIWYESB-OAHLLOKOSA-N 427.854 4.739 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CC[C@H]1CCCN2Cc1ccccc1 2145618257 QSPFLKBRBUVNPR-GCJKJVERSA-N 433.365 4.828 10 10 IJCE CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)NC1=S 2293701512 UNRQEFZVEKGCNT-UHFFFAOYSA-N 449.345 4.635 10 10 IJCE Cc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1C 2296683302 DCVKRSLTTUOGFO-UHFFFAOYSA-N 445.363 4.794 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccccc1C 2297347199 MPRJVXGUTWFSPQ-UHFFFAOYSA-N 429.563 4.730 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 2318683680 FXULVTXFQPMPFZ-HXUWFJFHSA-N 442.606 4.598 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 2321706192 JDBMCNSGCLPQLT-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1OCC 2321733834 DDNBMDBRLKAUNZ-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 20210784 NNKIGRUJQQYCMJ-IVLGQENNSA-N 449.898 4.937 10 10 IJCE CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3o2)cc1 27519547 DAAKKCMKMFOLKE-UHFFFAOYSA-N 447.407 4.630 10 10 IJCE CCCCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 45371266 ZPDHNNMTUGUGSV-UHFFFAOYSA-N 425.550 4.742 10 10 IJCE O=C1/C(=C/c2ccc(OC(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59397720 OSJPCLNPSZBFLO-ZSOIEALJSA-N 426.397 4.899 10 10 IJCE Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 254870857 HPQQUFWAGRFMRA-UHFFFAOYSA-N 439.462 4.883 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526405209 DNTPRYGYQHRGMY-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 743079176 QJUUTZSJYODPHL-SNVBAGLBSA-N 436.406 4.554 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 745808693 FYUZPEGEMGXAPM-IBGZPJMESA-N 445.604 4.884 10 10 IJCE CC(C)N(C(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859892047 VSAIPRJKDYVZDX-UHFFFAOYSA-N 433.891 4.936 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 1860084016 KVKYIYYMGVGUEQ-XDHOZWIPSA-N 443.550 4.855 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br 1915438883 RZIMLENFKGAOCL-UHFFFAOYSA-N 435.406 4.617 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc(F)cc1O 1952828869 GBFGVNHQBKVBFJ-QPPBQGQZSA-N 447.462 4.928 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3c(O)cccc3Br)CCC[C@@H]12 2098312878 PMKMLFGTGOOONV-XLIONFOSSA-N 425.367 4.567 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(O)c1 2293039531 JHNSPJRUHFAWIW-UHFFFAOYSA-N 432.592 4.854 10 10 IJCE CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2294092699 MXKFVVAUJDGKLK-CQSZACIVSA-N 442.899 4.501 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)c1 2294133735 FKXPDAOUXDUNNI-UHFFFAOYSA-N 441.531 4.994 10 10 IJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1ccccc1 2297258613 GMDJNRHUAYGPNT-UHFFFAOYSA-N 434.336 4.579 10 10 IJCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 2297624519 GLDAWLIAAOQHTQ-UHFFFAOYSA-N 447.922 4.976 10 10 IJCE CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2313624355 QTROOORHKZZBKO-UHFFFAOYSA-N 444.343 4.799 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2329003434 LCHMSVCZNKUUPP-VJUNAUMWSA-N 425.367 4.593 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2 14476369 QUHBTBGHRMZVAG-ZYLNGJIFSA-N 432.545 4.740 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20697519 IPWSYKBOFQDXEL-PLXFJCCSSA-N 431.580 4.832 10 10 IJCE [N-]=[N+]=N[C@H]1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1 22130296 AQYLQBCFWAUETR-GVDBMIGSSA-N 436.251 4.801 10 10 IJCE C[C@@H](Nc1cc(I)ccc1Br)c1cc(O)ccc1O 388484115 VZSZSYUOHVSSDQ-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1Cl 1084377156 ZPMUQEFXIIEIRG-NDENLUEZSA-N 439.943 4.850 10 10 IJCE C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1525805733 IGUXQHKMCXHPFL-RVDMUPIBSA-N 438.877 4.915 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 1858594428 YYRHTUUMJGABRI-IFRHDIGASA-N 437.634 4.791 10 10 IJCE O=C(CNCc1cc(Cl)ccc1O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860721386 QZUXTZSBFWVIEW-UHFFFAOYSA-N 426.744 4.812 10 10 IJCE CCn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1CCc1ccccc1 1862327033 YCLMFCFTSLDRIG-UHFFFAOYSA-N 449.510 4.716 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420833 WXGBWTZSTOEVJI-UHFFFAOYSA-N 443.547 4.711 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Br)c1 1891375477 DCHQGFQXBQDGFT-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1Br 2079060229 FNWHCEPLINHSQN-HNNXBMFYSA-N 429.261 4.773 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(N)c2I)C(C)(C)C)cc1C 2079979930 WOUMTZRDHIKPOU-QGZVFWFLSA-N 439.341 4.905 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079992589 GKLBHQQIBUYGQQ-SFHVURJKSA-N 437.334 4.659 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(CNCc2cc(Br)cc(F)c2O)CC1 2159124837 VBPOHDTVZMGJBG-UHFFFAOYSA-N 445.373 4.715 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1OC 2313577331 AFHSMDFXRWZZSG-UHFFFAOYSA-N 448.302 4.888 10 10 IJCE Cc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCCC(C)C)cc3)SC2=S)cc1 2314769130 UTBIOLSDWDERNP-UHFFFAOYSA-N 440.590 4.966 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 2314933452 WBJGQMSUOQWIQG-NSHDSACASA-N 449.937 4.606 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1-c1cccnc1 33414470 FPWXCLYQXDMHBZ-ODLFYWEKSA-N 436.924 4.814 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCC(C)C 40938443 YYTXWQHUSVYHOI-QGOAFFKASA-N 437.583 4.576 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226745369 YMEMSAGTWABUIU-ZOCZFRKYSA-N 447.944 4.763 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(S)c1O 687756070 OVXLNSLAPJUUEV-FQEVSTJZSA-N 435.501 4.735 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 705618758 LLSUWSBSBPTVLK-SFTDATJTSA-N 428.418 4.517 10 10 IJCE O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 726705227 GMDUJYCQDCWZAD-HXUWFJFHSA-N 449.530 4.565 10 10 IJCE Cc1cncc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C\c3cncc(C)c3)c(F)c2)c1 772153360 SDMSCGXPTSFTSG-XEQVNJCQSA-N 430.483 4.561 10 10 IJCE C[C@H]1CN(c2ccc(CN[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2F)C[C@@H](C)O1 779440247 ZZHPKKZVRMMOGQ-QETSIRBWSA-N 437.603 4.725 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1O 1170997579 MOZCVTKDIZGHJV-LOSJGSFVSA-N 436.502 4.631 10 10 IJCE CC(C)c1ccc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2c1 1866501124 BHRCIISEUKZVND-UHFFFAOYSA-N 436.467 4.679 10 10 IJCE CCCN[C@@H](C)c1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1Br 1916381570 JBKUETDZNHZVSB-PXNSSMCTSA-N 435.406 4.524 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(OCCCOc2ccc(Cl)cc2)cc1 2293485576 HNPZQFCFIASCLI-UHFFFAOYSA-N 448.906 4.649 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(N2CCCCC2)cc1 2321687237 LZTZILNKNLCLIQ-UHFFFAOYSA-N 425.535 4.991 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131940 WJRSQZUROWRQBL-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352946654 MHRQPZZOJPBPHD-GOEBONIOSA-N 427.383 4.731 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Cl 103919925 KXFBIQNITAUDNA-YBFXNURJSA-N 436.270 4.784 10 10 IJCE CC[C@]1(CNCc2cc(Br)ccc2O)CCCCN1C(=O)OC(C)(C)C 382136929 ZLGJJTIKZZTLRC-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 526469597 UYHDLYKEJLJJEM-OAQYLSRUSA-N 434.517 4.658 10 10 IJCE Cc1ccc(/C=C\C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C\c3ccc(C)nc3)c2)cn1 754361570 IWWTUHLYZVJRLN-GFCQZRJLSA-N 440.547 4.754 10 10 IJCE CCn1c(O)nnc1C1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 1557204396 WXSYYZXYIKXJBY-UHFFFAOYSA-N 435.572 4.554 10 10 IJCE Brc1cc(CNCc2ccc(N3CCCC3)nc2)ccc1N1CCCCC1 1655252902 ZYPCIYDFCUZMLG-UHFFFAOYSA-N 429.406 4.724 10 10 IJCE CCCN(c1ccc(CN)c(Br)c1F)C1CCN(Cc2ccccc2)CC1 2143593658 JFFJEPSKGLNSSV-UHFFFAOYSA-N 434.397 4.928 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2188888217 VNTYEQXBOFOPFC-NZQKXSOJSA-N 428.418 4.658 10 10 IJCE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2)c1C 2297313884 ASWWIXRVPNAXRP-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N(CC)CC)cc2[C@@H]2C=CC[C@H]21 14545434 VBOSYARCHHDTGT-KHCICDEESA-N 426.582 4.942 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N(CC)CC)cc2[C@H]2C=CC[C@H]21 14545435 VBOSYARCHHDTGT-XLNZFTOWSA-N 426.582 4.942 10 10 IJCE CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2ccc(OC)c(OC)c2)cc1 33935431 NCLVJADBYBVJSZ-UHFFFAOYSA-N 435.568 4.669 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc4sccc4n3CCc3ccccc3)CC2)cc1 40787334 DWVXWBLVCFCSRM-UHFFFAOYSA-N 445.588 4.917 10 10 IJCE Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(Cc3ccc(Cl)cc3)SC2=NC1=O 102640877 TVDLFMOHSMZJNZ-PUYZJMEQSA-N 433.924 4.992 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)ccc2O)Cc2ccccc21 404484565 ZSLMXLSEPNDEBK-KRWDZBQOSA-N 433.346 4.611 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526403836 SRZOCDCWWLUWJU-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715029269 SERSDGCPOFLTKO-GWJPWWOOSA-N 428.418 4.960 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1O 1473451779 FMSWZAUWTYODPC-HXUWFJFHSA-N 427.850 4.758 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865674265 WJRSQZUROWRQBL-KGENOOAVSA-N 446.890 4.877 10 10 IJCE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1937210508 ULVZYEGYRLDAFQ-QGZVFWFLSA-N 448.519 4.609 10 10 IJCE CC[C@H](NC[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2094156412 PKVLAFIHIXBRCT-RRQGHBQHSA-N 427.383 4.841 10 10 IJCE CC[C@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)CCN1Cc1ccccc1 2152156554 TYRYLEVJBMQYHI-IBGZPJMESA-N 429.358 4.648 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1Cl 2296136225 VYSVMRBMNWFKAM-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N2O1 2297347595 LMEOPPILPSLNSM-UHFFFAOYSA-N 437.883 4.638 10 10 IJCE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2297577876 FTEQXEQNEJHHPL-UHFFFAOYSA-N 438.405 4.746 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)CC1 2323858394 QJQYRKZKQXBHPQ-UHFFFAOYSA-N 444.500 4.528 10 10 IJCE Cc1ccccc1C(=O)NCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10913441 SENCUIXHQJKCPZ-MHZLTWQESA-N 438.527 4.880 10 10 IJCE O=C1/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)SC(=S)N1Cc1ccc(Cl)cc1 34201567 OPYZAHNVXZAORQ-CCEZHUSRSA-N 431.882 4.621 10 10 IJCE CN(C1=NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1)c1ccccc1C(=O)O 39870017 BZCFVPMOHWINEC-XDHOZWIPSA-N 449.444 4.660 10 10 IJCE CCCCOC(=O)CN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=S 40888919 VXVVVMNGIZRWAK-UYRXBGFRSA-N 429.563 4.783 10 10 IJCE Brc1cc(CN2CCCN(c3nccs3)CC2)ccc1N1CCCCC1 1651850877 MEEAGQITCQWBKG-UHFFFAOYSA-N 435.435 4.608 10 10 IJCE CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679262 DLVYMBLWWATQCX-NTUHNPAUSA-N 448.262 4.869 10 10 IJCE CC(C)[C@@H](C)[C@H](CNCc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C 1967798691 RVEICMBSVIRDST-WBMJQRKESA-N 433.362 4.569 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(CN)c2Br)C2(C)CC2)cc1C 2080053873 LKGZXOITYDOCAU-OAHLLOKOSA-N 432.284 4.835 10 10 IJCE CCCN[C@H](C)c1ccc(N(CC(=O)N(C)C)Cc2ccccc2)c(Br)c1 2152238812 AFKKSQDIFCXKJA-QGZVFWFLSA-N 432.406 4.605 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2168789357 LIFVJDBGQCDTOT-SFTDATJTSA-N 428.418 4.517 10 10 IJCE Oc1c(Br)cccc1CNc1cc(Br)cnc1Br 2221582887 HUTIPEKVSQZBLK-UHFFFAOYSA-N 436.929 4.687 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cccc(OC)c2OC)cc1 2313683543 BWQJLVVICPKIKB-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE Cc1csc2nc(Cl)c(C=C3SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)n12 2321706267 IGYCIRPKDASPFE-UHFFFAOYSA-N 436.927 4.672 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2323866107 QIHWOYFVVCSZAT-AWEZNQCLSA-N 438.357 4.891 10 10 IJCE CCCCNc1cc(N2CCN(C(=O)OCC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641599 VPBNYNSTFQGJMA-UHFFFAOYSA-N 448.523 4.530 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 54620857 FTSLHCHJTZUMRX-HSZRJFAPSA-N 443.503 4.730 10 10 IJCE CCCCN1C(=O)/C(=C/Nc2ccc(Cl)cc2C)C(=O)N(CCc2ccccc2)C1=O 100176352 DPADGJBIBBUFMJ-SILNSSARSA-N 439.943 4.778 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526142985 RQMPANRCZLFUGW-XMMPIXPASA-N 447.487 4.952 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526170947 NXQJNZJBZBWYSS-XMMPIXPASA-N 447.487 4.789 10 10 IJCE Oc1c(Br)cc(Br)cc1[C@H](C1CCCCC1)N1CCOCC1 575276091 IVKKJHAAKODLDJ-INIZCTEOSA-N 433.184 4.871 10 10 IJCE CC(C)(C)OC(=O)NCCOc1cccc(NCc2ccc(Br)cc2O)c1 691394393 DMXIEVQSBWFRHG-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CN1CCCc2cc(CNCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)ccc21 705700713 HNVOPJDMMKNRKB-UHFFFAOYSA-N 441.619 4.630 10 10 IJCE Cc1cc(C)cc(OCCNC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)c1 1872740916 VKVWGSZNOVLWIT-UHFFFAOYSA-N 428.536 4.722 10 10 IJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl 2294216985 WKYOADGFRDMZIU-HNNXBMFYSA-N 442.968 4.965 10 10 IJCE N=C1C(=Cc2ccc(Br)cc2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12 2297499618 PZFUVHGECZCSTN-UHFFFAOYSA-N 428.286 4.892 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 14480649 RJDMCEDGSYFWKP-JTAQYXEDSA-N 426.582 4.989 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 33915839 QHBGXXFYMXTNOE-NCNWTYLVSA-N 448.548 4.872 10 10 IJCE O=[N+]([O-])c1cccc(/N=N/N(/C=C/I)c2cccc([N+](=O)[O-])c2)c1 59464991 KKVKTIODVCHLFX-GJPWHTOCSA-N 439.169 4.915 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 111068447 YCESLTZFRPVLJX-UHFFFAOYSA-N 443.547 4.840 10 10 IJCE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)ccc1O 311268970 YYXKCGVTIGTACY-JLTOFOAXSA-N 427.383 4.718 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)c(Br)c1 382757983 TZWSRMUPDVSQCW-IBGZPJMESA-N 430.434 4.905 10 10 IJCE Oc1c(CNc2cc(I)ccc2Br)ccc(F)c1F 703214438 MNSRXSYNYMWQMW-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC2(CCCCC2)C1 741975827 WECJFXJFWPJSPS-SAPNQHFASA-N 434.652 4.912 10 10 IJCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@H]1n1ccnc1 800718508 ACDQOIKROOQAOX-KGVIQGDOSA-N 429.996 4.566 10 10 IJCE CCn1c(O)nnc1C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 1570737218 ZZNSEHQVFPSEGP-UHFFFAOYSA-N 435.572 4.554 10 10 IJCE Brc1ccccc1CN1CCC(NCCCSc2nccs2)CC1 1656574506 GXLIAANFVPQELH-UHFFFAOYSA-N 426.449 4.642 10 10 IJCE COc1cccc(/C=C/C(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 1859889014 DDPBJGALWDOGFX-CCEZHUSRSA-N 425.484 4.925 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865672432 CSQFCUYRVZWHMY-RCCKNPSSSA-N 446.478 4.682 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccccc1Br)c1ccccn21 1873968280 ZFDQIUSAJFDPNN-UHFFFAOYSA-N 445.272 4.730 10 10 IJCE CCCN[C@H](C)c1ccc(N(C)C[C@@H](O)COCc2ccccc2)cc1Br 1916381572 JBKUETDZNHZVSB-YLJYHZDGSA-N 435.406 4.524 10 10 IJCE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985101129 OELOOPCVHXHPMQ-MFEFFIJZSA-N 447.539 4.851 10 10 IJCE CC[C@H](NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159045096 WZFCNHSKOIGXFH-ZFWWWQNUSA-N 449.336 4.840 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cccc(OCCOc4cccc(C)c4)c3)C(=O)N=C2S1 2296394019 DXHSWUQJFBBPAI-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2297554550 FYTXPOGXGSDZKC-QGZVFWFLSA-N 447.965 4.983 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1 2323719139 PRFAZHAHMMPSHV-UHFFFAOYSA-N 442.606 4.822 10 10 IJCE CN(C)c1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 2332096394 BSFQOFIQQYLHOA-UHFFFAOYSA-N 438.247 4.864 10 10 IJCE COc1ccc(OC)c(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1 2332114809 RWEDMAGUPFRYLE-UHFFFAOYSA-N 442.796 4.840 10 10 IJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2cccc(OC)c2OCc2cccc(C)c2)cc1 2332134405 UOHBDEYGKDDCRK-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S 33686961 XAAPVZCFVNILSW-LKCPLBJASA-N 439.558 4.543 10 10 IJCE COc1ccc([C@H](C)Nc2cc(I)ccc2Br)c(O)c1 383488692 WGQTWILEXXNZTQ-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 526554766 ALKVZQXWIXGMCQ-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE CC[C@H](N[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 690944126 LNVRMUGWSFXFPU-QRTARXTBSA-N 427.383 4.983 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Br)ccc1F 727241861 JVMQEPMCMWWNOL-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)[C@@H]2C 800719213 IBPPXKDQPKKMQE-IAGOWNOFSA-N 445.011 4.578 10 10 IJCE CC[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(=O)O 1614237798 XWZPQPYUZTVMQI-GFWCWIAXSA-N 427.547 4.891 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)c1 1860087036 WMQZVMGYOJOJCD-GXDHUFHOSA-N 434.520 4.629 10 10 IJCE CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 1865677855 GPBLXLIAMMWYDX-NTEUORMPSA-N 432.879 4.784 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 1865678671 XSUJNGDDIOGDEV-GDNBJRDFSA-N 425.204 4.806 10 10 IJCE CCc1nc2ccc(F)cc2c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866275047 LSZIIMADRKIRFU-XMMPIXPASA-N 445.542 4.564 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166984 NJTDXYSSDNBQCB-UHFFFAOYSA-N 431.511 4.511 10 10 IJCE CC1(C)C[C@@H](CNCc2cc(Br)ccc2O)CN(C(=O)OC(C)(C)C)C1 2115924090 LFZLTNIQSPXWIM-AWEZNQCLSA-N 427.383 4.528 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2NCc2cc(Br)ccc2O)C1 2156249940 DKOYUEVKPNDSEF-RXVVDRJESA-N 439.394 4.814 10 10 IJCE CC1(C)C[C@@H](CNCc2cc(Br)cc(F)c2O)CN(C(=O)OC(C)(C)C)C1 2172556644 IXQPOPIOWQXGGF-ZDUSSCGKSA-N 445.373 4.667 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2185903952 NMDYDLNMNMTBJM-AEFFLSMTSA-N 439.394 4.985 10 10 IJCE C[C@H](NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192610427 AUYOREDQXAAMIO-LBPRGKRZSA-N 435.318 4.993 10 10 IJCE CCCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(Br)cc32)SC1=S 2296715400 ZBXHXPFXMGBONW-UHFFFAOYSA-N 439.400 4.577 10 10 IJCE CCCCOc1ccc(/C=C2\SC(N(C)c3ccccc3C(=O)O)=NC2=O)cc1OC 16933748 BNKXWCLGFKCBBP-ZHZULCJRSA-N 440.521 4.679 10 10 IJCE Cc1cccc(C2=NN3C(=N)/C(=C\c4cccn4-c4ccc(F)cc4)C(=O)N=C3S2)c1 20210660 XZYGFLUEKMPHIT-WKCGMSKDSA-N 429.480 4.592 10 10 IJCE Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)n1 170564568 ZWLBNXUYWVRSKQ-UHFFFAOYSA-N 448.482 4.865 10 10 IJCE C[C@H](NC(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1)c1ccc(N2CCOCC2)cc1 206987865 AYOWYYHOPQNETD-DESYSQHQSA-N 447.510 4.740 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526506168 KRFCJOHQGSKWOF-XMMPIXPASA-N 446.503 4.620 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(N=Nc2ccccc2)ccc1O 1084633700 VBBCMIWEICZUPC-ZINBITNMSA-N 446.463 4.778 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)ccc1OC(C)C 1865672006 KRTZMSORXDQYEV-YVLHZVERSA-N 436.405 4.966 10 10 IJCE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1O 1865672318 WNARNXQDBXEGSF-UYRXBGFRSA-N 449.304 4.998 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cc(Cl)c(O)c(OC)c2)cc1 1865675151 QUXAUPTVGUDMLL-XDHOZWIPSA-N 434.879 4.897 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)C4CCCCC4)nc(C(C)(C)C)n3)CC2)cc1 1867967548 AAPCFJGHJVPQRL-UHFFFAOYSA-N 437.632 4.878 10 10 IJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccco2)cc1OCCCO 1871266575 DZCRCVHIWRJQHS-UHFFFAOYSA-N 445.519 4.607 10 10 IJCE C[C@H]1C[C@@H](N(C)c2ccc(CNC3CC3)c(Br)c2)CN1Cc1ccccc1 2154821738 DHLGPEAWJNIZKX-HTAPYJJXSA-N 428.418 4.800 10 10 IJCE COc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C=CC(=O)O)c1 2220400905 QCOCWNWCGXATHN-UHFFFAOYSA-N 430.548 4.932 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 2314831043 BCAXOZWICGQGFW-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c1 2321717939 OZKRWXCXFNLNCZ-UHFFFAOYSA-N 426.563 4.725 10 10 IJCE Cc1cc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)ccc1[N+](=O)[O-] 2321742439 FXBRKHBQQDJDCR-UHFFFAOYSA-N 435.870 4.871 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1 2332141104 IEBIFVNVKIJAGZ-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c(O)c1Br 2381143896 VUJYAXCVOJVYKN-YJBOKZPZSA-N 441.410 4.977 10 10 IJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 6352965 QCOSNGJVGLEOGW-XMHGGMMESA-N 426.563 4.725 10 10 IJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 40928272 FAWPJUNRKVUOEZ-NTCAYCPXSA-N 442.400 4.774 10 10 IJCE COc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)ccc1OCc1cccc2ccccc12 96466503 AZFCDGDGPVNXHL-UNOMPAQXSA-N 432.501 4.524 10 10 IJCE COCc1c(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)sc2cccc(F)c12 96945992 KSYZKQAOIBHURM-UHFFFAOYSA-N 438.528 4.750 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3nn(-c4ccccc4)c4c3CCCCC4)CC2)cc1 110473914 XMYLEUUFNLXCNE-UHFFFAOYSA-N 444.579 4.549 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715052848 DAKPJLFXAPGQLS-WCAVRKLYSA-N 429.402 4.993 10 10 IJCE Cc1cc(-c2csc(NC(=O)c3cccc4ncnn34)n2)c(C)n1-c1ccc(F)cc1 753613870 RPQDEELLSKJSEK-UHFFFAOYSA-N 432.484 4.652 10 10 IJCE O=C(c1cc(O)cs1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769652187 DAQZJLPNIJFOLO-ZDUSSCGKSA-N 425.350 4.705 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1705478362 AFTYCGUDGUUUNF-UWUFEASWSA-N 443.595 4.792 10 10 IJCE CSc1ncc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c(=NC2CCCC2)[nH]1 1866052036 XSXVNQYOLJSGGG-UHFFFAOYSA-N 435.553 4.602 10 10 IJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873424476 QATZHWROQXILLZ-UHFFFAOYSA-N 443.547 4.951 10 10 IJCE C[C@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@H](C)CN1Cc1ccccc1 2152187167 PPTQHOIOFXCVHD-DLBZAZTESA-N 429.358 4.646 10 10 IJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2321706217 SUGHWQDPVKPDJA-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OC(C)C 2332125551 NRMGYAHGVNTYAJ-UHFFFAOYSA-N 436.405 4.966 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144918 ZAEQOBXCUGFTNR-UHFFFAOYSA-N 449.850 4.797 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(O)c1Br 2380801877 ATOXKEZHHFBFRM-NUZGMZIFSA-N 429.402 4.996 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3C(=O)O)=NC2=O)cc1OC 16933924 VJLBMXBQWZPOFJ-MOSHPQCFSA-N 440.521 4.963 10 10 IJCE CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)sc2c1CCCC2 101113067 XNWAUALFTHAELY-SFQUDFHCSA-N 427.501 4.661 10 10 IJCE Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O 102792344 CXLSLQDFGRNNIL-AMWUQPRHSA-N 431.546 4.986 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2)N1CCc2ccccc21 250540307 VYRBZYVFBMFQBQ-OTPAQWSUSA-N 429.545 4.660 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)c(O)c2)c1 526457828 ZBDZEVIUXFWJBJ-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526468952 KNFSKVMSWJPZBT-QHCPKHFHSA-N 446.478 4.736 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)cc1 526616898 ITXOBHVVMYFBEG-OAQYLSRUSA-N 443.377 4.581 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)CC1 717618550 CHQQMHRQTFFQPX-NTMALXAHSA-N 429.358 4.648 10 10 IJCE Cc1cc(C(=O)Nc2cccc3ncnc(O)c23)c(C)n1-c1ccc(Br)cc1 1651637767 HTDNQJHQEOIFLO-UHFFFAOYSA-N 437.297 4.758 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1-c1ccc(Br)cc1 1866050842 QOCNWWAVEPBKTA-UHFFFAOYSA-N 435.299 4.821 10 10 IJCE Cn1ccc2c([C@@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc21 1951566686 AFHYHXPKXITQMD-HSZRJFAPSA-N 440.499 4.885 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNCc2c(O)cccc2Br)C1 1966029396 NIZDHHGUQDLCIF-HNNXBMFYSA-N 439.394 4.672 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CNC3CC3)c(Br)c2)C1 2169161413 DBTIOVZTEYRHQG-QFIPXVFZSA-N 428.418 4.802 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(Br)c1 2188882860 FTYJNVQBZMGNAA-HCLVMJGWSA-N 428.418 4.830 10 10 IJCE CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 2293467586 DYCQAMZWHGPUDS-UHFFFAOYSA-N 439.312 4.838 10 10 IJCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(I)cc1 2297512639 ZHJOVFQZIBXZID-UHFFFAOYSA-N 431.277 4.627 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2297624603 LBKAFSALDBEBRN-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 2314933114 TTZWSJVIKKXOLO-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)c1 2321718176 RPTICDCPRWIRBD-UHFFFAOYSA-N 434.520 4.627 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 13643930 OXQVKDBGWJKNLY-JTAQYXEDSA-N 425.598 4.656 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 32964436 NCOIABQTZPTZDB-JNCKMBBWSA-N 445.935 4.993 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1 96592084 OCDLKXXQHYEEJR-SCORJZKRSA-N 448.548 4.939 10 10 IJCE CCOc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 226095697 ABKNEJZDHVGMRO-SFQUDFHCSA-N 426.831 4.599 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 704730072 ZRLVFINYEPGADH-QHCPKHFHSA-N 430.434 4.905 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@H]1CN(Cc2ccccc2)CC12CCC2 715718993 OZTQJMYXJURIQY-SFHVURJKSA-N 433.365 4.686 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 715825855 GFQUQIFFANCRNW-XMSQKQJNSA-N 433.365 4.686 10 10 IJCE Cc1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 1871343543 SRTGZIWEJODNJM-UHFFFAOYSA-N 444.578 4.568 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C=O)c1I 2080022237 HJJZFBPJVGAQFT-HNNXBMFYSA-N 440.325 4.920 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1Cl 2313510350 XPUZTQNWGBMCSF-UHFFFAOYSA-N 430.074 4.967 10 10 IJCE COc1cccc2c1OCC(C=C1SC(N3CCC(Cc4ccccc4)CC3)=NC1=O)=C2 2314450671 KVGIEXSZDDDLLZ-UHFFFAOYSA-N 446.572 4.939 10 10 IJCE CCCCCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OC 2314769325 ZETCXHBOSKKNRO-UHFFFAOYSA-N 430.389 4.906 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 2323874053 HKSXXLCTEHHOSV-UHFFFAOYSA-N 438.618 4.951 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)ccc1O 2332134724 CPVLCRLIQIDRRI-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE Cc1ccc(CNC[C@@]23CC[C@@H]2CCCN3Cc2ccccc2)c(O)c1Br 2380799480 ZHGILORDLWMMBK-REWPJTCUSA-N 429.402 4.998 10 10 IJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 13942600 VSUNGBQYACGMKK-ODLFYWEKSA-N 433.493 4.590 10 10 IJCE COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 40940548 HJSUQLXCESZFAF-DEDYPNTBSA-N 434.542 4.703 10 10 IJCE CC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1Cl 783129049 AALCQSKKQPQZPW-UHFFFAOYSA-N 437.874 4.935 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 1136443295 YCBDUOARRNLVDZ-IBGZPJMESA-N 443.547 4.960 10 10 IJCE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S 1858592224 JFVQVGRUEWNBKC-VUODPORTSA-N 437.583 4.719 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3CN2)sc(C)c1-c1ccc(C)c(C)c1 1866234516 CZRYQNJQOKBCTJ-FQEVSTJZSA-N 434.561 4.780 10 10 IJCE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1937208610 GTIVZEZOEHJXAF-QGZVFWFLSA-N 448.519 4.609 10 10 IJCE O=C(N[C@@]1(c2c(O)cccc2Cl)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952829941 QXGRLIOMIHNSDG-DFBJGRDBSA-N 449.890 4.884 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(N=[N+]=[N-])CC1 1984695507 REFBPUDIUDGPQW-HSZRJFAPSA-N 447.539 4.851 10 10 IJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079987167 VPOSVGDYLIEVTF-SFHVURJKSA-N 437.334 4.659 10 10 IJCE CNCc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145265159 CZEOSAMNGGUVRK-UNMCSNQZSA-N 428.418 4.659 10 10 IJCE CCN1C(=O)C(=Cc2ccccc2OCCCOc2cccc(OC)c2)SC1=S 2297347369 GKUKFTYAYWYCFP-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 2297456574 OKMTYWIBDQBUTQ-UHFFFAOYSA-N 426.563 4.542 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2313557596 HCSOTRNVXUBIHY-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314768647 LPIGLBFKUKCIRD-MRXNPFEDSA-N 448.363 4.565 10 10 IJCE Cc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1Br 2380796256 BSQKHLKTSQGTHR-OAHLLOKOSA-N 439.394 4.732 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc1Br 33323329 YSXBGXXMEIHQED-FLIBITNWSA-N 435.661 4.618 10 10 IJCE CC(C)c1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 33939690 MOIRTYPEPNAQAQ-IDUWFGFVSA-N 427.503 4.612 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526234687 BKPRYYUWYAQZNL-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 687243879 NYJSUQKLZCCRQM-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(N)cc1 783485205 HOETUVWTYJQDMY-HXUWFJFHSA-N 442.563 4.992 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccccn4)nc3O)cc2Cl)C1 800569666 AYUSHDFNJKFBNH-INIZCTEOSA-N 436.943 4.669 10 10 IJCE Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 1084614637 WSNLRKOLNPCSSM-RGEXLXHISA-N 446.503 4.544 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1O 1655926283 RCIZSNJLIIBQLM-HXOBKFHXSA-N 436.980 4.765 10 10 IJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2oc(C(F)(F)F)nc2c1 1860399397 ZSSYEUXLJWRXSH-UHFFFAOYSA-N 436.345 4.874 10 10 IJCE Ic1ccc(/N=N/N2CCN(C/C=C/c3ccccc3)CC2)cc1 1860484212 CFCHVBPLIJUOLL-PMYVFPLNSA-N 432.309 4.621 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 1865656609 NTPKRLSOACNHEQ-LFVJCYFKSA-N 429.495 4.730 10 10 IJCE CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865671724 ANXPNMVOSCYGFA-VCHYOVAHSA-N 443.341 4.972 10 10 IJCE CCOC(=O)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871144578 VBPLDHRFRCSFSL-UHFFFAOYSA-N 449.551 4.802 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(C)c4C)c3)CC2)cc1 1872846105 LTKQUVFWEXVOBL-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cccc21 1874179376 ATYNKVZXZVAZKL-UHFFFAOYSA-N 433.467 4.777 10 10 IJCE COC(=O)c1sc2nc(C(Cl)=CC3=S=CC(c4cccs4)=C3)nc(O)c2c1C 2041107137 OHDMMCIPQFVRHB-UHFFFAOYSA-N 448.978 4.938 10 10 IJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044750201 MEJAJOSRBMLPJB-DNQXCXABSA-N 441.616 4.903 10 10 IJCE CC(C)C[C@@H](CNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 2057063446 KAGKXECNCDOICB-AWEZNQCLSA-N 435.790 4.837 10 10 IJCE CCCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2188887380 RTMBQGXNKIPFIW-OFNKIYASSA-N 428.418 4.659 10 10 IJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)SC1=Cc1ccco1 2295971114 WXGULRCQGBOTRD-UHFFFAOYSA-N 429.545 4.657 10 10 IJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1)C(=O)O 2314932856 ZULZWTKLKCCWGD-SNVBAGLBSA-N 437.901 4.737 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c(O)c1Br 2381132506 BPWRUSNWKPLMDC-SVGFKBNWSA-N 439.394 4.729 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 13636572 NXYKKFJFNRCUAZ-UMFSSWHCSA-N 446.572 4.740 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1C(F)(F)F 15035678 PMCXGTQWTHVLJN-DHDCSXOGSA-N 440.443 4.684 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cc(OC)c(OC)cc2OC)cc1 27550369 PGIIGORLNWCDRY-STZFKDTASA-N 444.487 4.556 10 10 IJCE COc1ccccc1N1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(c2ccccc2)C1=S 33391439 YHUWIRJGTSQDEW-PGKOPCIWSA-N 440.524 5.000 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(OC)cc3)C2=O)cc1 59371359 RPCFPBUTEXDQFM-XSFVSMFZSA-N 427.595 4.812 10 10 IJCE COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1Cl 96462653 REPLNSRUKOGAEQ-CPWDNUMFSA-N 441.944 4.805 10 10 IJCE CCCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 206886894 CYBNGPJGGYZRFI-XDJHFCHBSA-N 426.563 4.802 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CN(Cc2ccccc2)CC12CCC2 715718978 OZTQJMYXJURIQY-GOSISDBHSA-N 433.365 4.686 10 10 IJCE CCNCc1ccc(N(C)C[C@H]2CCCN(Cc3ccccc3)C2)c(Br)c1 719948737 UWGCALRAIQUNHY-OAQYLSRUSA-N 430.434 4.907 10 10 IJCE COc1cc(CN(C)[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1O 913098686 DIUYIEOVVCPGCO-OAQYLSRUSA-N 444.491 4.580 10 10 IJCE Brc1cc(CNc2cnn(Cc3cccnc3)c2)ccc1N1CCCCC1 1473977526 KYDLQHIGOLQKHW-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2168785983 FPUICKOQBGHUSC-RTWAWAEBSA-N 428.418 4.517 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N(C)C)cc1 2313510743 LLBJNFJKRYEXPI-UHFFFAOYSA-N 431.319 4.937 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=CC3=Cc4ccccc4O[C@H]3c3ccccc3)S2)C[C@@H](C)O1 2314432949 IHLSEVPMTLNXFC-MFEFFIJZSA-N 432.545 4.826 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2cccc(O[C@@H](CC)C(=O)O)c2)SC1=S 2314930352 BPOLSQAZMLUZKN-KRWDZBQOSA-N 443.546 4.733 10 10 IJCE COc1ccc(NCc2ccc(C)c(Br)c2O)cc1I 2380807120 WZHOLDYTAZXJOT-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 13639356 OXTIJWWYIAXWHY-NNMXDRDESA-N 439.353 4.748 10 10 IJCE CN(C)c1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 97012544 PDFIFPGZKUZCMY-UHFFFAOYSA-N 449.942 4.877 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 206862883 KLSLGZNRVSSITR-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CC1(C)CN(c2ccc(/C=C\C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382624413 LDDIYFCKWXPLQI-LUAWRHEFSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708072315 GIJPNWIZGQQYOO-ABAIWWIYSA-N 433.774 4.591 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1F 731345957 OCWTZFLHANJTMR-UHFFFAOYSA-N 427.451 4.586 10 10 IJCE CCc1cc(O)nc(-c2cccc(NC(=O)c3ccccc3-n3c(C)cc(C=O)c3C)c2)n1 1136270866 IYGIIZKITKUFGP-UHFFFAOYSA-N 440.503 4.884 10 10 IJCE C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1618254179 YCPZDRORPNONCH-DKXPKDADSA-N 441.547 4.677 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)c1O 1654661047 GFCWLKOAYMGLTK-OAQYLSRUSA-N 428.504 4.528 10 10 IJCE CN(Cc1ccc(CNCc2cccc(Br)c2O)cc1)C(=O)OC(C)(C)C 1913010958 MZLXSVMPEMXFLF-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE CC[C@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OCc2ccccc2)C1 2027856168 VYLIAIFKSKSSHP-QFIPXVFZSA-N 447.373 4.826 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)c1ccc(N2CCCC2)cc1 2044756277 JRKYMANGHJLOSU-LADGPHEKSA-N 439.600 4.787 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262755 WTKDBSUPOAEKSZ-WEYGHZABSA-N 428.418 4.960 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 2296940811 SDVQGNSTKALOJM-UHFFFAOYSA-N 441.984 4.707 10 10 IJCE CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332107004 DGTMTYTYENMAII-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114746 MRPYTIJDHOWGLK-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE Cc1ccc(CN2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(O)c1Br 2380787992 XQBHMUPNDFXNMP-QHCPKHFHSA-N 429.402 4.950 10 10 IJCE CCc1ccc(Nc2nc(C(=O)NCc3ccc(N(C)C)cc3)nc3ccccc23)cc1 35430091 DTNJHFFJHNRHGC-UHFFFAOYSA-N 425.536 4.932 10 10 IJCE Cc1ccc(-c2cc(OCC(=O)O)nc(Nc3ccccc3C(=O)c3ccccc3)n2)cc1 73700901 IGJOZJXYGCZYFA-UHFFFAOYSA-N 439.471 4.890 10 10 IJCE Cc1cc(C(=O)NCc2cccc(Br)c2O)ccc1NC(=O)c1cccs1 765752523 XDXVQJGNOSDODI-UHFFFAOYSA-N 445.338 4.707 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)c(C)s2)c(C)c1 1859572575 RDHXFJIMOOVTEG-CYBMUJFWSA-N 427.551 4.592 10 10 IJCE Cc1ccc(-c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)n2)cc1 1859616644 VVFUVAVTUVHHKR-UHFFFAOYSA-N 433.467 4.788 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 1860074687 CWOBFUADBIMXRP-RGVLZGJSSA-N 426.563 4.663 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC=C(C)C)[nH]c4c3)CC2)cc1 1872824751 KNSMQOYVUHCOEZ-UHFFFAOYSA-N 436.581 4.592 10 10 IJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1CO 2079957260 JTSPSJWLBJXDNY-KRWDZBQOSA-N 442.341 4.500 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255627 PVMOSVNNPYFAEG-XJABCFGWSA-N 429.402 4.993 10 10 IJCE CCC(CC)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 2297470158 PROBVOLUNICVRW-UHFFFAOYSA-N 436.493 4.554 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2321591091 VJRIHTCKBXLIJP-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(OC)c(OC)c4)C3=O)c2c1 2321690902 RTMCVAPDWILVGM-UHFFFAOYSA-N 426.519 4.600 10 10 IJCE CC(C)N1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1317894 YBDZTKQVSPMNBY-ISLYRVAYSA-N 428.966 4.867 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 16906445 HLISDOZJNUSHII-CPNJWEJPSA-N 427.547 4.898 10 10 IJCE COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 104674015 HNMKDQUBBWTCEU-CXUHLZMHSA-N 428.532 4.636 10 10 IJCE CN(Cc1ccccc1CNCc1cc(Br)ccc1O)C(=O)OC(C)(C)C 404555486 AYWQEOJZAQIREW-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE CC[C@@H](N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 700879712 AFIXRWMWSGIQJZ-NKGKWGDASA-N 439.394 4.983 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2c(O)cccc2Br)CC1 1560493133 RSWINFBTJVYHIR-SHTZXODSSA-N 427.383 4.575 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(N2CCCCC2)cc1 1860085724 WFTVXPWNMKUQDM-XMHGGMMESA-N 425.535 4.991 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 1860085788 JDBMCNSGCLPQLT-LDADJPATSA-N 429.519 4.588 10 10 IJCE CCCOc1c(Br)cc(/C=C2\C(=O)N(CCC)N=C2C(F)(F)F)cc1OC 1865667677 KCEOGXHRFBQXMQ-WQLSENKSSA-N 449.267 4.800 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865678198 ZAEQOBXCUGFTNR-SFQUDFHCSA-N 449.850 4.797 10 10 IJCE CC[C@H](C)N1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164172 PEUNIMYXHNIDBT-SFHVURJKSA-N 427.548 4.762 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cccc(Br)c1)c1ccccn21 1873966376 YMZCAYFCFJZFPL-UHFFFAOYSA-N 445.272 4.730 10 10 IJCE CCCN[C@H](c1ccccc1O)c1cc(Br)ccc1I 2146251241 WALANJZLZJVYCD-MRXNPFEDSA-N 446.126 4.848 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc(Br)c1O 2332107130 REMYUOFVJYDGJD-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE Cc1ccc(CN[C@@H](CN(C)C(=O)OC(C)(C)C)C(C)(C)C)c(O)c1Br 2352947190 HBRKQEAGAYHSEL-HNNXBMFYSA-N 429.399 4.834 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 33411143 KAISSFWKQPAQLD-UDWIEESQSA-N 431.404 4.668 10 10 IJCE CCCCOc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721183 LRRKFKWCPUCCPO-UHFFFAOYSA-N 441.753 4.715 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)cc(F)c2O)CC12CCCC2 2155199605 ILQBWWKJNFMRBD-HNNXBMFYSA-N 443.357 4.706 10 10 IJCE O=C(O)C=Cc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)c(Br)c1 2165054966 DZSUBVIQYDIHLL-UHFFFAOYSA-N 428.326 4.733 10 10 IJCE Cc1ccc(CN[C@H]2C[C@@H]3CC[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131173 JVXPHOUHDFHJJI-NXNVCVFFSA-N 439.394 4.635 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638933 ZGKBBQZWMCLTPL-LQWHRVPQSA-N 447.398 4.964 10 10 IJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14462810 SNFBEKCUXYGJKM-FBLLAGFSSA-N 438.593 4.657 10 10 IJCE CCOc1ccc(C2=C/C(=C\c3cc(Br)c(OC)c(OC)c3)C(=O)O2)cc1 33343228 FWNKWFFXRYTRPI-OQLLNIDSSA-N 431.282 4.846 10 10 IJCE CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(F)cc3)N2)c1O 53363291 QYSZBVSKCOYGSY-CJFMBICVSA-N 434.467 4.881 10 10 IJCE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4cccc(Cl)c4)ccc3n2)CC1 64251921 MJIPCUCCHJCHRN-YFHOEESVSA-N 434.971 4.990 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3c(C)[nH]c4ccccc34)SC2=S)cc1OC 208361165 RUWVPOYXMUEWTI-FYJGNVAPSA-N 438.574 4.937 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226743160 SRABIDSZDSDXQI-ZOCZFRKYSA-N 447.944 4.761 10 10 IJCE CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@H]2c2ccc(N(C)C)cc2Cl)cc1 248109981 JXGRTJXPKRJZTO-NZQKXSOJSA-N 427.976 4.956 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 705626678 YQOXLUPTOMRUON-SFTDATJTSA-N 428.418 4.515 10 10 IJCE COc1cc(N(C)Cc2csc(N(C(C)=O)c3ccccc3F)n2)cc(OC)c1OC 741804871 CAGAAFVYHJWEPQ-UHFFFAOYSA-N 445.516 4.629 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 781631354 QRMAKGAIWJXDGP-MRXNPFEDSA-N 446.389 4.570 10 10 IJCE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c(C)n1-c1cccc(C(C)C)c1 1151359723 PARLHBBEJYYFSR-QHCPKHFHSA-N 443.551 4.755 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 1858594419 YRTKZOSJEHKCEQ-XPFMCRKWSA-N 439.562 4.633 10 10 IJCE CCNCc1ccc(N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1Br 1921464897 VJHWBRKOIWUHSL-MOPGFXCFSA-N 430.434 4.905 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2186721057 LWPNKOFPNWSSQY-LIRRHRJNSA-N 442.323 4.722 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(C(=O)c3ccc(Br)cc3)C2=O)cc1 2297467008 CNZZGJAXTWKUMC-UHFFFAOYSA-N 447.379 4.557 10 10 IJCE CC(NCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682424 CDSIYTAAHKWRTA-UHFFFAOYSA-N 430.439 4.549 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=S 2314760488 KLSLGZNRVSSITR-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE COc1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc(OC)c1O 2332147563 KXKUJVSKCMQADU-UHFFFAOYSA-N 442.393 4.911 10 10 IJCE Cc1cc(/C=C2\N=C(S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 12527682 GYEQTAPSPOEAIC-ODLFYWEKSA-N 436.468 4.815 10 10 IJCE COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(/N=N\c3ccccc3)cc2)C1=O 100712978 UHCPVOKANKFBAQ-HEIIZWRGSA-N 428.492 4.575 10 10 IJCE CC(C)c1noc(-c2ccnc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2)n1 301336588 DFRMYGGIJZEDME-UHFFFAOYSA-N 447.461 4.723 10 10 IJCE COc1ccc(C)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687736569 RZXPXHDCCJSLDW-OAQYLSRUSA-N 447.487 4.764 10 10 IJCE Cc1nc(-c2ccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)s2)cs1 760970722 NVJKCHAWKUTBDN-UHFFFAOYSA-N 433.942 4.503 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNCc1cc(Br)cc(F)c1O)C2 2159691248 KFNJMIBDPWQOFI-DVSIDAKKSA-N 443.357 4.562 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163315953 BCPQHIADJYRWSA-MBSDFSHPSA-N 428.418 4.961 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(OC)c(OC)c2OC)cc1 2293544026 TVLJZBCQYARVGQ-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 2296968832 GQKHNDFOQSIRLH-UHFFFAOYSA-N 435.553 4.686 10 10 IJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 2313683592 HNBYUHFLFUMJTH-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE CN1C(=O)/C(=C/c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)SC1=S 35655889 XLQLMTITGJANIB-BOPFTXTBSA-N 437.571 4.893 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cn1 102860905 CPECJFRGQSXSAU-NTEUORMPSA-N 438.361 4.618 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1OC 208359361 QOPDPHZISGHHII-FYJGNVAPSA-N 442.537 4.974 10 10 IJCE Cc1oc2c(CN3CCn4c(C(C)C)nnc4[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 783969842 VHGJYHXZUHGCOP-INIZCTEOSA-N 444.535 4.766 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1O 1460983831 WEHRGDDLCWCTGX-SFHVURJKSA-N 434.552 4.641 10 10 IJCE Brc1cc(CNC[C@H](c2ccco2)N2CCCC2)ccc1N1CCCCC1 1655957461 DBZOPZWIBYRRQI-OAQYLSRUSA-N 432.406 4.959 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)COCC 1705480501 VUUPESLNTBDANW-IBGZPJMESA-N 433.600 4.873 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccccc2[N+](=O)[O-])cc1 1865678151 WWVKGXAOWFTTOO-XSFVSMFZSA-N 431.423 4.573 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N(Cc3ccccc3)C[C@@H]3CCCO3)ccc(N)c2C1 2034743105 HHSVMENCSGCIAQ-FQEVSTJZSA-N 437.584 4.748 10 10 IJCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351041 HKNJCSNCLHUJSD-HSZRJFAPSA-N 432.480 4.870 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080036120 IBLRLYUPVJKZML-QGZVFWFLSA-N 449.345 4.587 10 10 IJCE CC[C@@H](NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2105029528 AXKLZZGTRFZFDZ-MUKKUYKPSA-N 431.346 4.591 10 10 IJCE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2243918106 BCAPSXYWYYNYTP-SBUREZEXSA-N 447.539 4.851 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c1 2294133745 GMHIBRDKYUOQGV-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S 2294187483 VNDQCDDOUXEBDR-UHFFFAOYSA-N 435.526 4.705 10 10 IJCE Cc1cc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 2297327361 BEVJIZIVAVBQIP-UHFFFAOYSA-N 437.839 4.586 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S 2314927053 YFNFJXPUGBZDRH-UHFFFAOYSA-N 435.567 4.791 10 10 IJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cnn(-c2ccc(C)c(C)c2)c1 33417456 ILMULYUJJINOJQ-DJKKODMXSA-N 434.883 4.647 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2)c1C 96834055 RCHXXQSQCHDQKT-BUVRLJJBSA-N 442.515 4.980 10 10 IJCE CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(Br)ccc1O 723810611 WWSKUHPBPCAQLT-CPUCHLNUSA-N 427.383 4.698 10 10 IJCE COCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917632407 BZNCHADFOLNJIR-HSZRJFAPSA-N 444.491 4.871 10 10 IJCE COc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 1858033125 FIYRNXVQSAEIIJ-UHFFFAOYSA-N 430.570 4.808 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 1865671686 OCURZSONIFCRAD-WQLSENKSSA-N 440.780 4.594 10 10 IJCE CCCN(CCC)c1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1868163955 QOICDWGNDJDGST-UHFFFAOYSA-N 427.504 4.736 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](CNCc2c(O)cccc2Br)(C(C)(C)C)C1 2160981268 WBMISEQDLCEUGC-NRFANRHFSA-N 441.410 4.918 10 10 IJCE CC[C@@H](NC[C@H]1CC1(Br)Br)c1cc(Br)ccc1O 2217996811 LZBDLNOFLFXKJD-LDYMZIIASA-N 441.989 4.701 10 10 IJCE CCOc1ccc(C=C2SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2296758976 MUNRUIAZQXCXFX-UHFFFAOYSA-N 427.957 4.531 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1C 2297559157 WDNWTQXWNRZIRV-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 2323882470 YYRHTUUMJGABRI-NRFANRHFSA-N 437.634 4.791 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 2332122193 DTHBRKHKCOLCLU-UHFFFAOYSA-N 428.488 4.937 10 10 IJCE CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc(-c4ccc(C)s4)ccc3=O)c2C)cc1 109632474 CCYPOIZQKRWIKN-UHFFFAOYSA-N 447.560 4.969 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 226847291 QUHBTBGHRMZVAG-FHAGJXEFSA-N 432.545 4.740 10 10 IJCE C[C@@H](N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1O 813878287 DXOCVWKQSVPDJR-DYVFJYSZSA-N 425.367 4.595 10 10 IJCE Brc1cc(CNc2cccc(N3CCOCC3)c2)ccc1N1CCCCC1 1308218000 ZJHLCHQREWPRNW-UHFFFAOYSA-N 430.390 4.888 10 10 IJCE CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)ccc3-n3c(C)ccc3C)CC2)c(F)c1 1539195543 DRUYUGFJUCCTBK-UHFFFAOYSA-N 433.527 4.707 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(C)CC2)n1 1859832807 NIIQIYVPVXFYKZ-UHFFFAOYSA-N 426.520 4.794 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccccc1O 1860086617 WDLRZOQISKBYQF-AWNIVKPZSA-N 442.743 4.920 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2098555387 IKVTXPVFDBODJC-XBVQOTNRSA-N 425.367 4.593 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21)c1cc(Br)ccc1O 2177715510 KDOLRPPMZSCNEL-OWLYRPNTSA-N 439.394 4.983 10 10 IJCE C[C@@H](Nc1ccc(Br)cc1I)c1c(O)cccc1O 2231654932 GNNHKKUOMMRTEZ-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314831132 DBJWYGSRCDEZQB-UHFFFAOYSA-N 432.592 4.767 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCCc2ccccc2)c(OC)c1 2332113639 SHJRIFGZLYBZMY-UHFFFAOYSA-N 427.504 4.908 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2354682765 ZFNCTYKRCMYPFI-MZDBXJLNSA-N 439.394 4.887 10 10 IJCE CCOCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21 20683614 HRPQZWBYLPQOAP-PMAPCBKXSA-N 425.525 4.954 10 10 IJCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccccc1I 103883777 RQCQOHHARICLTJ-PTNGSMBKSA-N 431.277 4.627 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 251347803 LWXFTLBKTRDOKY-LGIZFMHMSA-N 442.581 4.607 10 10 IJCE C[C@@H](Nc1cc(Br)ccc1I)c1c(O)cccc1O 311961755 PCOBIKBCKSQKPL-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526329255 VTPJHVDDRYFNRW-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE Oc1c(OC(F)(F)F)cccc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 575303811 PECIXPXZOAMLEP-MRXNPFEDSA-N 437.336 4.611 10 10 IJCE Cn1ncc(Br)c1/C=C1\SC(=S)N(c2ccc3ccccc3c2)C1=O 779202430 BCBYIAORCUDHSR-SXGWCWSVSA-N 430.352 4.742 10 10 IJCE c1ccc(Sc2ccc(CNCc3ccc(N4CCN(CC5CC5)CC4)cc3)o2)nc1 814297858 UKMMWDFJGGFNPM-UHFFFAOYSA-N 434.609 4.648 10 10 IJCE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)c([N+](=O)[O-])c1 1613659299 SWBQPMWRICKSIE-UHFFFAOYSA-N 427.844 4.515 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865673977 HXXZKKPMDBXRIV-FYJGNVAPSA-N 432.863 4.881 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1872956562 NVUJUQDKMVFRPD-UHFFFAOYSA-N 444.487 4.502 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](N)c1ccc(N2CCCCC2)cc1 2044764010 GFBVFLOJUYQCJA-BJKOFHAPSA-N 439.600 4.787 10 10 IJCE Cc1nn(Cc2cccc(Br)c2O)c(I)c1C(C)(C)C 2079620308 AELIHJMCAQJKHB-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163307344 RENNPPUBQUQOHO-JPYJTQIMSA-N 429.402 4.995 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2210542396 XIQBFTZSHYTNAU-ZLNRFVROSA-N 447.539 4.897 10 10 IJCE Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 2294199311 QLIIKULHWYCXJK-UHFFFAOYSA-N 440.883 4.879 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 2296589811 FODMUVIYXYIFAN-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1 2314831930 VYMQFKCDSFXJAY-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE Cc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c(O)c1Br 2381129444 KHPRCBJTWGCAOE-UHFFFAOYSA-N 426.310 4.972 10 10 IJCE COc1ccc(O)c(CN(CC2CCN(Cc3ccccc3C)CC2)C[C@@H]2CCCO2)c1 11932672 VAQHIDREUNSPAQ-SANMLTNESA-N 438.612 4.602 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccn3-c3cc(Cl)ccc3OC)C(=O)N=C2S1 32964121 LYZJVCNKFVLWAK-OUDZLSHESA-N 427.917 4.559 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OCC 34856544 GVEXKTVEFKRIMY-LFIBNONCSA-N 448.397 4.531 10 10 IJCE CCOc1ccc(OCC)c(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)c1 729688155 YBYBRKFYXFHEKT-YBFXNURJSA-N 425.535 4.538 10 10 IJCE Cc1nc(C2(NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)CCCC2)no1 918685096 FMWIVHCMVSGEBA-UHFFFAOYSA-N 443.345 4.747 10 10 IJCE C/C(=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1Cl 1355707830 JVWSHTCQVKAHNI-NTCAYCPXSA-N 438.877 4.915 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC(C)CC1 1705606314 ZKZXXKOPNDZQNX-UHFFFAOYSA-N 444.627 4.544 10 10 IJCE c1ccc(CCCc2nnc(N3CCSCC3)n2CCCSc2nccs2)cc1 1740735812 FRWONHOTPVFDQS-UHFFFAOYSA-N 445.683 4.646 10 10 IJCE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CNCc1cc(Cl)cc(Br)c1O 1857873110 QMNCAQLSNJZRHX-PVUWLOKVSA-N 432.786 4.902 10 10 IJCE CC[C@@H](C)N(C(=O)c1ccc(OC)c(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859911356 WSAYEXXRHBCJCS-MRXNPFEDSA-N 443.499 4.925 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCCCC4)nc(-c4ccccc4)n3)CC2)cc1 1867972696 RDZMWMMHEBKLTI-UHFFFAOYSA-N 443.595 4.859 10 10 IJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422386 URGAARLGSAKAJV-UHFFFAOYSA-N 441.531 4.847 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)[C@@H]1C(C)(C)C 1877293525 ZUVLFFYIPBYXPC-NVXWUHKLSA-N 427.383 4.668 10 10 IJCE O=C(NN1C(=O)C(=Cc2ccccc2Cl)SC1=S)c1csc2c1CCCC2 2040582363 XSPIKKVLLGPFTE-UHFFFAOYSA-N 434.995 4.827 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(N)c2I)cc1C 2079971845 MOIHXGVLFAXXEQ-GOSISDBHSA-N 439.341 4.905 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1ccc(Br)cc1O 2127870219 XICCZUSPIMCKMM-KRWDZBQOSA-N 427.383 4.670 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148936872 ZTIHMHXKDAPKAX-RLLQIKCJSA-N 429.402 4.851 10 10 IJCE COc1ccc(Br)c(CN[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1O 2236054698 LVFTUFZELOYYEN-FQEVSTJZSA-N 445.398 4.582 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)cc1OC 2313510806 SVQICSDYRFZSEL-UHFFFAOYSA-N 448.302 4.888 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S 2314650379 CYKBVULGZYWHEF-UHFFFAOYSA-N 447.843 4.905 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1 2314829041 YWETWSBHTFQXHR-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1OCC 2332106868 PSZQVLYKJBDPLZ-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(Cc3ccccc3O)CC2)cc1 34683893 WDRPSSKOTLMDES-UHFFFAOYSA-N 436.577 4.561 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C\c1ccc(O)cc1 54201423 JOANWMXDGOEMMJ-VLDJDNEVSA-N 441.512 4.919 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc(OC)c1O 59396965 ICWZFLDNBKYOIP-OQLLNIDSSA-N 441.452 4.834 10 10 IJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 65297989 IARJTKLFUICYOX-FQEVSTJZSA-N 445.922 4.657 10 10 IJCE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526175982 NGTVSIDCGIKGIY-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1c(O)cccc1Br)C1CCCCC1 706821689 MQNZSTNIMCYULJ-KRWDZBQOSA-N 427.383 4.718 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)CC2)cc1 734384852 AFYOOAFNBFOOPM-UHFFFAOYSA-N 446.473 4.607 10 10 IJCE CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 743045806 ZSIPPFWXZBVYSM-UHFFFAOYSA-N 437.546 4.747 10 10 IJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2cc3ccccc3nc2O)cc1 767223432 GUBMNLGFVZRWBO-UHFFFAOYSA-N 429.520 4.761 10 10 IJCE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C 1084390660 DJWJJAQOOFDWTH-UYRXBGFRSA-N 439.943 4.850 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 1858594048 JELQHMUZHSJTOQ-XPFMCRKWSA-N 439.562 4.633 10 10 IJCE CN1CCc2cc([C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1951678793 IBVTVRYKXKRSHU-MHZLTWQESA-N 442.515 4.517 10 10 IJCE Oc1c(F)cc(Br)cc1CNc1cc(F)ccc1I 2271693248 ZORHTUGFHKJGGX-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1 2297563428 BTRDSABWLMGZEK-UHFFFAOYSA-N 443.453 4.649 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccc3noc(-c4cccc5ccccc45)c3c2)SC1=S 2314593818 UBYBUGCGVOINAV-UHFFFAOYSA-N 446.509 4.934 10 10 IJCE O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(N2CCOCC2)cc1 2321734489 LHLHPOIHONZBNC-UHFFFAOYSA-N 434.945 4.722 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCCc2ccccc21 8769218 MMQPXLLHYIAKLZ-QIYXJHPLSA-N 440.565 4.611 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccccc1 33329959 VWEVMSPTHSDUEN-WMUNWQNWSA-N 434.521 4.693 10 10 IJCE Cc1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)o1 33912821 DHHOPODZLPPDEI-PTGBLXJZSA-N 443.572 4.966 10 10 IJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(C)C)c(OC)c3)C2=O)cc1 59860982 QQYAAABBAKICEJ-UNOMPAQXSA-N 438.480 4.635 10 10 IJCE Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccccc4C(N)=O)=NC3=O)cc2)cc1 208334691 XYHTXSMWKWWICL-HYARGMPZSA-N 443.528 4.755 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 772033737 RVLIUMBPVPZJGQ-UHFFFAOYSA-N 433.556 4.643 10 10 IJCE CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)cc(Br)c1O 781894633 JVJDZVAWXRFDCH-UHFFFAOYSA-N 445.279 4.943 10 10 IJCE COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c1 1307627857 BTIMVPFZKIOHLM-HNNXBMFYSA-N 425.554 4.937 10 10 IJCE CC(=O)N[C@@](C)(C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1)C(C)C 1654253344 PYIJQNMYDLTTRN-NZQKXSOJSA-N 449.517 4.849 10 10 IJCE COc1cc(C)c(C)cc1S(=O)(=O)N(CCc1c[nH]c2ccccc12)c1ccc(N)cc1 1857992786 XBTOSTNPHCFYRU-UHFFFAOYSA-N 449.576 4.814 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 1860073535 OJZFRPVFQAKSKS-CPNJWEJPSA-N 426.563 4.566 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc(Cl)c1O 1865674840 ASOYRXUGXNGCJW-MLPAPPSSSA-N 428.769 4.537 10 10 IJCE CC(C)C[C@@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865897845 QVUOSLSEKHRVKH-QHCPKHFHSA-N 443.503 4.711 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)CC(C)(C)C)nc(-c4ccccc4)n3)CC2)cc1 1869202615 NNBORYYVZUFQDJ-UHFFFAOYSA-N 445.611 4.961 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C(F)(F)CC1 1966028081 LPXFUMLLKCYNFV-AWEZNQCLSA-N 425.303 4.823 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3c(O)cccc3Br)CCCCC[C@@H]12 1966047052 ACSDAUXAOLBEPM-WIYYLYMNSA-N 439.394 4.957 10 10 IJCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NCc1cc(Cl)cc(Br)c1O 2103910941 GKHRNQLJVXSUKO-VXGBXAGGSA-N 447.801 4.789 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2294259243 WPRTXKVCDFDGCQ-UHFFFAOYSA-N 426.856 4.570 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2296879808 DIYZMIOWCWMXKP-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE 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O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc(O)cc1 15035924 KSXNGNVHWNNLKJ-ZSOIEALJSA-N 439.345 4.539 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 34721347 GTFCOLGRQWQZPD-NKFKGCMQSA-N 434.609 4.634 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 40888421 OKKCLSBPEMRIEF-UYRXBGFRSA-N 449.594 4.561 10 10 IJCE CC/C(Nc1ccc(C)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 101624253 GARPRCDQRVEIAB-LTGZKZEYSA-N 434.521 4.647 10 10 IJCE COc1ccc(N2CCCN(C(=O)/C=C/c3ccc(Oc4cccnc4)c(F)c3)CC2)cc1 109927821 SLVZTRAUJZGMBO-WUXMJOGZSA-N 447.510 4.774 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 210444557 TTZWSJVIKKXOLO-UNOMPAQXSA-N 443.546 4.571 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)O 210457940 ILLFLRQTCJAGLA-UNOMPAQXSA-N 443.546 4.517 10 10 IJCE BrC1=CCCN(c2nnc(C3CCC3)n2CCCSc2nccs2)C1 1538962472 JZZZMCJTCBYCOO-UHFFFAOYSA-N 440.436 4.673 10 10 IJCE CCN(CC)CCCn1cc(OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870997815 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IJCE Cc1cccc(COc2ccc(C=C3SC(=S)N(CCCC(=O)O)C3=O)cc2)c1 2314761640 VWBNXGAVDAZKIM-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Br 2381137828 KBWUTIIJXHCYOF-UAGQMJEPSA-N 439.394 4.731 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1159675 DHZKFUXNBBDWOX-UDWIEESQSA-N 426.563 4.663 10 10 IJCE COc1ccc([C@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 20032771 BWDPGOIBGARJQY-NRFANRHFSA-N 435.480 4.643 10 10 IJCE Brc1cc(CN2CCO[C@@H](COc3ccccc3)C2)ccc1N1CCCCC1 1657764894 AAICOVLHBMWHQW-OAQYLSRUSA-N 445.401 4.719 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N2CCCc3ccccc32)sc(C)c1-c1ccc(C)cc1 1860748746 KFKVQYCQJKAURW-UHFFFAOYSA-N 448.544 4.736 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1OC 1865669846 ZMJHJUWFRDXUFX-JWGURIENSA-N 428.488 4.937 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(C=O)c2I)cc1C 2079969882 KBYZEYBERDQJDW-GOSISDBHSA-N 440.325 4.991 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C=O)c1I 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4.956 10 10 IJCE O=C(O)CN1C(=O)/C(=C\c2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S 1084023627 HUVMZYWXVFLSDP-QXPVPXCFSA-N 433.898 4.747 10 10 IJCE COc1ccccc1-c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(O)n1 1293146609 VUUOKBJRNJWKDI-UHFFFAOYSA-N 431.536 4.629 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ncsc1Br 1307464479 IBJQGQWOKFYOCG-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 1532249801 LKGTUIHOFQSSIE-LCYFTJDESA-N 431.721 4.857 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Cl)c1 1630368858 XBTZGPQOLMAWIU-PTNGSMBKSA-N 438.877 4.915 10 10 IJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 1860087886 YHWVCIYSTXEGBG-OMCISZLKSA-N 436.898 4.671 10 10 IJCE Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 1865677967 MLTKDVRJELQWSJ-BKUYFWCQSA-N 427.460 4.747 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cc(C)[nH]n2)sc(C)c1-c1ccc(Br)cc1 1866051004 IHJIIXSIYPOQDA-UHFFFAOYSA-N 448.342 4.947 10 10 IJCE COc1ccc(O)c([C@H](C)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1960169844 DLSVPYSJNLKTCX-KRWDZBQOSA-N 432.520 4.590 10 10 IJCE Cc1cccc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1O 2243940932 XLHBMIHATITZEM-UHFFFAOYSA-N 444.531 4.636 10 10 IJCE COCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297349376 JFXNCWMAPIYGGJ-UHFFFAOYSA-N 449.981 4.775 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)cc(C)c1 2297499383 YTZYHVLZGFQSPI-UHFFFAOYSA-N 429.563 4.601 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 2314764431 CAEVTZREXRYRNP-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 2321643792 RFNCEOFZMYBPDQ-UHFFFAOYSA-N 430.507 4.838 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 14471320 XXIHIYARXAXGGF-HOIFWPIMSA-N 439.899 4.547 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1OC 14479346 NFDBSVQXVILCGU-STSQHVNTSA-N 442.581 4.607 10 10 IJCE Cc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4cccs4)SC3=S)sc2c1 39874901 WPZNAJZEKUPWQH-ZSOIEALJSA-N 431.589 4.506 10 10 IJCE CCOc1ccccc1N1CCN(Cc2cc(-c3cc(OC)ccc3OC)ccc2O)CC1 55197246 SSGYODKTYAQKQM-UHFFFAOYSA-N 448.563 4.797 10 10 IJCE CN(C)c1ccc(/C=C2\CCCC3=C2Nc2ncnn2[C@H]3c2ccc(N(C)C)cc2)cc1 103044294 NGMMQSGAOTYTST-XDKREJCVSA-N 426.568 4.947 10 10 IJCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCOCC3)c3ccccc32)C1 435977644 MWQRLMJIHURLRK-UHFFFAOYSA-N 443.591 4.503 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526405006 YDWNFZKYUKYKGC-XMMPIXPASA-N 447.487 4.952 10 10 IJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c1 1873423332 BPZSSPZLPNMFCN-UHFFFAOYSA-N 443.547 4.951 10 10 IJCE CC[C@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)c1cc(Br)ccc1O 2193242493 OAABZCQOELVTCE-QYZOEREBSA-N 439.344 4.961 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)SC(=CC=Cc3ccc(N(C)C)cc3)C2=O)cc1C 2293976819 RBMUAVZMRAMQLF-UHFFFAOYSA-N 435.549 4.601 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1C 2296549753 UOMVZQOOGRRXFU-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE N=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 2297344644 FDDYQNONOQADPL-UHFFFAOYSA-N 431.304 4.561 10 10 IJCE CCOCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCCCC2)SC1=S 2314648100 OIZMGMLZGOVAGB-UHFFFAOYSA-N 441.622 4.853 10 10 IJCE O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 13639994 GKLAUDIIQMPJSJ-RLSLOFABSA-N 426.516 4.897 10 10 IJCE N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12 20210806 WZARZCDKLIEJMQ-YNUQAMOLSA-N 441.472 4.690 10 10 IJCE CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226741452 GXYALKQQGPNYBZ-YVMWEGPTSA-N 434.536 4.975 10 10 IJCE CCc1cccc(CNc2cc(Br)ccc2I)c1O 691471774 CAXZEFJREDDESQ-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)ccc21 728471182 VZROJLHQYDDEHN-GOSISDBHSA-N 433.552 4.522 10 10 IJCE Cc1nc(NCC(=O)NCc2ccc(N(C)C)c(F)c2)c2cc(-c3ccccc3)sc2n1 1627046253 NYQWKTVZUQEDQM-UHFFFAOYSA-N 449.555 4.600 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)c1 1860086937 QDYBXUSGCKOHQJ-QGOAFFKASA-N 443.546 4.676 10 10 IJCE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865923120 OGEUENVAJAKTTR-QFIPXVFZSA-N 427.548 4.722 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CC(C)C)C2=O)cc1 1873166902 KGKXDVRQSVMEDN-UHFFFAOYSA-N 445.538 4.759 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1O 1951667001 ZAZYTFDZRZYORC-QFIPXVFZSA-N 435.451 4.976 10 10 IJCE CC[C@H](NC1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158895719 SIXZHKUEJASOAF-DEYYWGMASA-N 439.394 4.841 10 10 IJCE Oc1c(F)cc(F)cc1CNc1ccc(Br)cc1I 2231656068 MWKWFHCLANJHHA-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2293704385 KFWPNBSSUKYBMV-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 2970219 ZHVCCXFJTHDMMB-NTDVSOSHSA-N 436.602 4.583 10 10 IJCE CCCCN(C)C[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20439412 IFSFJGUUHNSKEH-AJPHYDNBSA-N 444.579 4.540 10 10 IJCE CCOC(=O)COc1ccccc1/C=C1/SC(=S)N(CCC2CCCCC2)C1=O 33448786 HKYUCNURVVPFFP-XMHGGMMESA-N 433.595 4.800 10 10 IJCE O=C1/C(=C/c2ccc(N3CCOCC3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 33589778 LEBWAXCZUMAGOQ-PTNGSMBKSA-N 440.468 4.541 10 10 IJCE CC(C)CC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1 102465806 XEDIWHJNMAOFGK-AZAZKDLZSA-N 438.534 4.633 10 10 IJCE COc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1OC 915864297 GZSMLFSNOXEWTM-FQEVSTJZSA-N 430.464 4.863 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cnc(O)c4ccccc34)cc2Cl)C1 1235832916 HTCZXEIXJIZMBZ-INIZCTEOSA-N 438.959 4.830 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)cc1 1454652906 JPDXUNXDHFZOCS-GGAORHGYSA-N 431.496 4.529 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 1460181296 YASJLDRZDZZKDL-OXQOHEQNSA-N 436.980 4.860 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CCc1ccccc1OC 1857996714 AXMOAEHRPSTGII-UHFFFAOYSA-N 437.471 4.889 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1858594245 QIHWOYFVVCSZAT-GWQWUEFDSA-N 438.357 4.891 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(OC)c1OC 1865667787 PHINLHGTQVIPFR-ZSOIEALJSA-N 440.805 4.714 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865673207 VWCNGPASTPKVLH-XQNSMLJCSA-N 442.515 4.851 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(C)ccc4OC)cc3)CC2)cc1 1872884467 UANHOFQLXGHKEN-UHFFFAOYSA-N 445.563 4.587 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162353 RBAZQTXXUQFIMZ-LJQANCHMSA-N 441.575 4.805 10 10 IJCE COc1ccccc1-n1c(C)cc(C(=O)NCC2CCC(C(=O)OC(C)C)CC2)c1C 1874158770 IDHKOAVUKDVUSI-UHFFFAOYSA-N 426.557 4.591 10 10 IJCE CN(Cc1ccc(CNCc2cc(Br)ccc2O)cc1)C(=O)OC(C)(C)C 1913012239 ZNPWUAKUTVVVDP-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE O=C(N[C@]1(c2c(O)cccc2Cl)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952829943 QXGRLIOMIHNSDG-UQBPGWFLSA-N 449.890 4.884 10 10 IJCE CN(C)c1ccc([C@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044717550 FQYDUILWXDNGMQ-JYFHCDHNSA-N 440.584 4.630 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079037129 DEYGCSQHLFFVKL-HNNXBMFYSA-N 427.330 4.627 10 10 IJCE Cc1ccc([C@@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079051398 DOLGNSGMJUKYQL-CQSZACIVSA-N 449.283 4.534 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(C)c(Cl)c3)C2=O)cc1 2294094871 BIEXCSWLGYEKSI-UHFFFAOYSA-N 433.895 4.668 10 10 IJCE O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 2296266080 UJKYIIBCDSZFTA-UHFFFAOYSA-N 437.524 4.662 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1 2297239555 POIKSXABNNNCCL-UHFFFAOYSA-N 437.498 4.913 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2297552974 CEJQTDMDBITKLA-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c(C)c1 2313559255 UYXVTXOUTSBZBO-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccccc3O[C@@H](CC)C(=O)O)SC2=S)cc1 2314934352 ZCRYZTUXERMEGR-KRWDZBQOSA-N 427.547 4.897 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352946621 LXVPQAQYOJMMOI-HOTGVXAUSA-N 427.383 4.779 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467938 BIAXQGBMKLSUSC-WHSLLNHNSA-N 445.346 4.998 10 10 IJCE COc1cccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)c1OC 20071005 JSIGOVKZTJBCPB-CLOONOSVSA-N 432.476 4.660 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 20700795 YFVIWWKOABGUEL-XWIDLSQFSA-N 444.984 4.624 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)cc1OC 33396874 XHFOTCDDXSMPCB-GHXNOFRVSA-N 437.304 4.682 10 10 IJCE CC[C@H](C1=NN2C(=N)/C(=C/c3ccc(Br)o3)C(=O)N=C2S1)c1ccccc1 33457615 SHXFWSCQKGJCEF-ZBZJPARMSA-N 443.326 4.855 10 10 IJCE O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 96480470 FMDFHQSNLQHVHC-LZYBPNLTSA-N 434.336 4.579 10 10 IJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526185161 QAGQJKMJAGBVJM-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 715830123 WXKYAKLYHXIZSI-IBGZPJMESA-N 433.362 4.713 10 10 IJCE CCOc1ccc(O)c(CN[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)c1 727836667 AIRTYTXCGCEUJI-KOSHJBKYSA-N 425.573 4.534 10 10 IJCE CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1CC(C)C 802609731 IDTQWUDHLGFOKC-UHFFFAOYSA-N 448.567 4.679 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O 1646091401 UIZZTWZTBBTXGC-DYESRHJHSA-N 434.552 4.736 10 10 IJCE CCOC(=O)c1c(NC(=O)CCOC)sc(C)c1-c1ccc(Br)cc1 1866030158 CXXUROVJQSYKRB-UHFFFAOYSA-N 426.332 4.638 10 10 IJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)C[C@@H](C)C4)nc(C(C)(C)C)n3)CC2)cc1 1867967633 DFYGBRIAOHOJTC-WOJBJXKFSA-N 437.632 4.592 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873167891 BXHHTAGCAMDFAV-KRWDZBQOSA-N 445.538 4.901 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 1885865446 JQFSWTWLFHQALW-IUODEOHRSA-N 447.801 4.837 10 10 IJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 2293117068 QJVJQIMFLLKVTC-NSHDSACASA-N 433.291 4.879 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 2297350891 JIJCXQVXVDNJTH-UHFFFAOYSA-N 437.502 4.800 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3cccc(NC(C)=O)c3)C1=O)cn2C 2321683245 MDFBAOGWLLHLOG-UHFFFAOYSA-N 437.546 4.551 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1OCC 2321733989 WJDFQSSIXFTCDS-UHFFFAOYSA-N 443.546 4.661 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OCC 2323739141 MKQSGYQOBBWJRR-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)ccc1OC(=O)c1ccccc1 2332133790 AWWRMHMSZQCIOS-UHFFFAOYSA-N 444.462 4.855 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 17145728 UEPQKDCLVCFXMK-XDHOZWIPSA-N 431.404 4.668 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12 32964271 PFZZMDCSPDFGRO-NLPPSYTOSA-N 437.484 4.891 10 10 IJCE CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 33850583 SIRQTULUHLAVLB-JUVBEIPNSA-N 437.481 4.910 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3cc(Br)ccc3OC)C(=O)N=C2S1 102465640 ABOUCDIXZCCZHZ-YZFBNTCLSA-N 435.347 4.657 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(Br)ccc1O 389795847 UEKWLQPBAJPBMJ-COXVUDFISA-N 427.383 4.841 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934041 XACNKJSXZNUAMJ-ABPVARSCSA-N 425.504 4.796 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1584260592 GPFFWCXYNKJGJX-IDJPSDCMSA-N 430.321 4.792 10 10 IJCE CCCC(=O)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)C1 1860647436 ZWPRMUWAQZUUTK-GOSISDBHSA-N 442.581 4.796 10 10 IJCE COC(=O)c1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1 1865675635 SBWLRBLNUSTUSO-HYARGMPZSA-N 446.890 4.970 10 10 IJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1c(O)cccc1Cl 1951843203 LSZSUBKRCANXHC-XMMPIXPASA-N 437.879 4.884 10 10 IJCE C[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2103298971 GYTVLYYEDQSZHI-WFASDCNBSA-N 447.801 4.933 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163309004 WRHRNJBMNVDULF-JPYJTQIMSA-N 429.402 4.995 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)cc(F)c2O)C12CCC2 2177340454 YWRCMIFWUYUVHA-CQSZACIVSA-N 443.357 4.563 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)cc(NCc2c(O)cccc2Br)c1 2265781398 VXIDQGKYORKUQT-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE O=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10911053 QYLDUBMFHLOHBU-VWLOTQADSA-N 428.488 4.554 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(C(=O)NCCN(CC)CC)cc3[C@@H]3C=CC[C@H]32)cc1 14543864 XJPQDHIQILXNSQ-PLXFJCCSSA-N 433.596 4.983 10 10 IJCE Cc1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62658266 ULAMMUNFDCMFLK-RMKNXTFCSA-N 431.555 4.747 10 10 IJCE C[C@@H]1CCN(c2ccc(CNC3CC3)c(Br)c2)CCN1Cc1ccccc1 382772528 FBFMBCJAKHQJJS-GOSISDBHSA-N 428.418 4.802 10 10 IJCE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 1302538615 WPVLHLBHENQGCO-KRWDZBQOSA-N 444.531 4.887 10 10 IJCE CC(=O)c1ccc(N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1533539888 PKDHRDAQNICLLJ-AQTBWJFISA-N 444.603 4.595 10 10 IJCE COc1ccccc1CN1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S 1858589247 SWIORWLAXQQTJY-VGOFMYFVSA-N 435.983 4.768 10 10 IJCE CC[C@@H](C)N(C(=O)c1ccc2c(c1)OCO2)c1cccc2c1C(=O)c1ccccc1C2=O 1859910972 PVDKLYMANSTAOW-OAHLLOKOSA-N 427.456 4.636 10 10 IJCE Cc1cccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1C 1872881599 VUJGTSGSLGIOGL-UHFFFAOYSA-N 442.607 4.944 10 10 IJCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCCCC2)cc1I 2070173694 OYFFSVULRXPJPQ-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE Cc1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079806242 GIYJBQCOJXSNEX-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163319433 VFVDHVXLFKBGBQ-MBSDFSHPSA-N 428.418 4.961 10 10 IJCE COc1ccc(Br)c(CNc2ccc(N(C)C(=O)OC(C)(C)C)nc2)c1O 2236051362 RRUPFFGRJACSRD-UHFFFAOYSA-N 438.322 4.542 10 10 IJCE CN[C@H](c1ccccc1O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237416866 FQVMBENSPXEYJE-PKOBYXMFSA-N 435.362 4.551 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2314736434 JAMKJXKPIBOKEI-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c(O)c1Br 2381142429 KMHJGGGTMWDODY-INIZCTEOSA-N 439.394 4.590 10 10 IJCE Cc1cc(/C=C\C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 96993351 LGSNOLPWJZCZNC-SYKNXGGPSA-N 443.595 4.831 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 210500063 YFNFJXPUGBZDRH-SAPNQHFASA-N 435.567 4.791 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(OC(C)C)c(OC)c2)cc1 1865671262 SOLGCAMSLVXKHF-RCCKNPSSSA-N 443.503 4.721 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H]2CC)n1 1868275537 TVFNECURIQGUCN-INIZCTEOSA-N 426.520 4.937 10 10 IJCE CCc1nn(Cc2ccc(Br)cc2O)c(Br)c1C(F)(F)F 2079653205 MGJMEZMLWOIGGC-UHFFFAOYSA-N 428.046 4.743 10 10 IJCE Cc1cc(Br)c(C(=O)NCCCCN=[N+]=[N-])cc1NC(=O)OC(C)(C)C 2124509226 LGOBZMHLBBKLPP-UHFFFAOYSA-N 426.315 4.925 10 10 IJCE CN(C[C@]1(Oc2ccc(N)cc2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2249695228 MNTKDCHLYURVJT-RUZDIDTESA-N 425.573 4.549 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)cc(NCc2ccc(Br)cc2O)c1 2265780430 QNRJATDCQRRLEG-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 2297334882 SZYGQDCDAPNIDX-UHFFFAOYSA-N 438.288 4.937 10 10 IJCE Cc1ccc(COc2cccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 2297624941 KPNAINMBUBJDKX-UHFFFAOYSA-N 440.499 4.857 10 10 IJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 2313560368 RBVQJJWZUQDVCR-UHFFFAOYSA-N 433.895 4.756 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 2313609748 MMTLNFDVFBSNSH-UHFFFAOYSA-N 441.452 4.834 10 10 IJCE COC(=O)c1c(NC(=O)C=Cc2cnc(OC)nc2)sc(C)c1-c1ccc(C)c(C)c1 2330050559 RBCKUJABXKXEBH-UHFFFAOYSA-N 437.521 4.577 10 10 IJCE Cc1cccc(C)c1-n1cccc1/C=C1\C(=N)N2N=C(c3ccc(F)cc3)SC2=NC1=O 32964298 GFZACOUPCAOJST-OAHXEOETSA-N 443.507 4.901 10 10 IJCE CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1 33619440 SJCCEHMDKDHBTC-PXNMLYILSA-N 439.295 4.818 10 10 IJCE CC(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 65096295 IRDNCTVQIFCXNV-UHFFFAOYSA-N 428.529 4.728 10 10 IJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H]2C=CC[C@@H]21 226834001 BWYMFACPNALWJW-IEGUWTFLSA-N 439.537 4.596 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2c(O)cccc2Br)Cc2ccccc21 706872036 DCBGWUKIBRUCFJ-OAHLLOKOSA-N 433.346 4.611 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 708072607 GRLAITLQDPKIIA-RISCZKNCSA-N 433.774 4.591 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNCc1cc(Br)cc(F)c1O 715827578 NGEGDZHMJSSZST-IBGZPJMESA-N 431.346 4.563 10 10 IJCE O=[N+]([O-])c1cccc([C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc2)c1 779022886 KCKJKZHGXSZSMI-VWLOTQADSA-N 435.499 4.574 10 10 IJCE O=C(CCc1ccccc1Br)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1264610438 DUWQVCWAMWDMGQ-UHFFFAOYSA-N 434.289 4.796 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2037292420 JDWWBBHGMZHUGA-RYUDHWBXSA-N 433.774 4.543 10 10 IJCE CCC[C@]1(NCc2cc(Br)ccc2O)CCCN(C(=O)OC(C)(C)C)C1 2101406172 WECXBZLRTSGFAF-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CC[C@@H](NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2113232149 ZUQKMIOZWYDNRW-FRFSOERESA-N 427.383 4.889 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306817 MSSMZGSJBRIDSS-JPYJTQIMSA-N 428.418 4.961 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@@H]2CCCC[C@@H]21 2240995811 JMBKBWCWMRPTLT-ZVZYQTTQSA-N 439.394 4.813 10 10 IJCE O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2297365477 YQEUAQDEJGKUJY-UHFFFAOYSA-N 441.270 4.915 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C1CCCCC1 2313558931 NEAFRQBASQASOB-UHFFFAOYSA-N 425.529 4.581 10 10 IJCE COc1ccccc1CN1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S 2323759378 SWIORWLAXQQTJY-UHFFFAOYSA-N 435.983 4.768 10 10 IJCE O=C1C(=Cc2ccc(O)cc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 2332096008 PKWKRKMPYAOXKL-UHFFFAOYSA-N 431.197 4.749 10 10 IJCE C[C@H](CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)NC(=O)c1ccccc1 11967728 NXRMQCOQJIIVAW-WINIVTDRSA-N 438.527 4.960 10 10 IJCE CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1O)N(C(C)=O)c1ccccc1-2 15015920 UYIRMYVAZRZQSP-JOCHJYFZSA-N 436.537 4.971 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nccs1 15045168 GVJBNEAFELCSPL-QINSGFPZSA-N 435.571 4.683 10 10 IJCE CCN1C(=O)/C(=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 33304286 QHVJTZTZULAXNM-FOCLMDBBSA-N 445.363 4.592 10 10 IJCE N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccncc3)=NN12 102470401 NVJYXYKWOWPBGD-UHHWSGGGSA-N 433.880 4.662 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 708204232 LFMOFZDSUMHOOE-UVBJJODRSA-N 445.785 4.686 10 10 IJCE C[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H](c2ccco2)C1 744384742 PUBJWNHDPRMQEV-IFXJQAMLSA-N 444.443 4.577 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(C)s2)c(C)c1 1859572639 WUSUHLHGECBFEK-UHFFFAOYSA-N 441.578 4.766 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)Cc4ccccc4)nc(C(C)(C)C)n3)CC2)cc1 1867967948 IRYPPJVWSOSXSI-UHFFFAOYSA-N 445.611 4.746 10 10 IJCE CCCN[C@H](C)c1ccc(N(C)C[C@H](O)COCc2ccccc2)c(Br)c1 1916381814 LOYCREQRZHNOFK-XLIONFOSSA-N 435.406 4.524 10 10 IJCE CC(C)(C)c1c(C2(C)CC2)nn(Cc2cc(F)ccc2O)c1I 2079797311 FAXNKGCDIINLRB-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2Br)cc1C 2080037730 NXPNEFPMEMQZBK-HNNXBMFYSA-N 433.268 4.869 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@](CNCc2ccc(Br)cc2O)(C(C)(C)C)C1 2160958849 XWZDBIZHSVZLKW-OAQYLSRUSA-N 441.410 4.918 10 10 IJCE Cc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2297311300 LTVUJUOXZLRZOB-UHFFFAOYSA-N 448.954 4.906 10 10 IJCE Cc1cc(OCCOc2ccccc2C=C2C(=O)NN(c3ccccc3)C2=O)ccc1Cl 2297463128 IVMZREFWEZFQFU-UHFFFAOYSA-N 448.906 4.568 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)cc2)SC1=S 2314759350 CCHQTDJXEHAETG-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1OC)C(=O)O 2314934432 ZSSYUZIZNOYWCG-INIZCTEOSA-N 443.546 4.651 10 10 IJCE COc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1OC 8590277 ZVCOHLHKFIEFRL-GOSISDBHSA-N 432.564 4.900 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)ccc1OCCC(=O)O 16920044 UFFJKPHGGCQOGQ-XSFVSMFZSA-N 440.521 4.584 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 59536024 ZMMSIIOIYJZVSZ-STZFKDTASA-N 446.890 4.894 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(Br)ccc1O 311290877 AAMXJHPVXASHFI-LXZKKBNFSA-N 427.383 4.983 10 10 IJCE Cc1cc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(C)n1-c1cccc(Br)c1 792673552 FYKLGDKDUZJHEE-GOSISDBHSA-N 429.318 4.684 10 10 IJCE Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 1084057742 CIINUQYVBOVRFU-UYRXBGFRSA-N 434.542 4.879 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 1857641310 HEKJYZZSCQBJGB-UHFFFAOYSA-N 445.431 4.976 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865678798 FAUVNTICWLEDIB-HZHRSRAPSA-N 428.488 4.543 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)N2CCCCC2)cc1 1868036612 LMLYSSITRRGVHM-XMMPIXPASA-N 444.019 4.908 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(Cc3cccs3)C2=O)cc1 1873165147 DPAMNRIZWGZNFQ-UHFFFAOYSA-N 445.588 4.968 10 10 IJCE Cc1ccc([C@@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079053001 YAHRPQCUSBXHRU-CYBMUJFWSA-N 435.256 4.657 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)CC1(C)C 2098837166 BNSUVZPDKJCVAR-CQSZACIVSA-N 431.346 4.562 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2314480953 YGZJYOBCYLYGGB-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1OCC 2314754047 JGPQQNGDWRRGLG-UHFFFAOYSA-N 437.583 4.720 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2332134188 VIGNGVMETFQJLR-UHFFFAOYSA-N 427.460 4.506 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469246 AOBHQDCUPNLYNE-RLSLOFABSA-N 434.536 4.929 10 10 IJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15048807 IMHWDEMWIINLMK-CLUBXZQOSA-N 444.390 4.678 10 10 IJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)c1 20071275 LAXYJJGUPRLGQC-PXDATVDWSA-N 432.476 4.660 10 10 IJCE CCOc1cccc(CNc2ccc(I)cc2Br)c1O 312445443 QVFJXCPAORAGDN-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)ccc21 487907769 CSDNJIJGSWKUCG-JOCHJYFZSA-N 425.617 4.633 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 526296080 CYGFNSAEPXVBIE-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 687237584 DNEYZNWEZUCCMU-SZPZYZBQSA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)CC12CCC2 701011686 BXRCNQYBIKLNHP-INIZCTEOSA-N 425.367 4.567 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1Cl 1355707838 JVWSHTCQVKAHNI-QINSGFPZSA-N 438.877 4.915 10 10 IJCE Brc1cc(CNCCc2ccn(-c3ccccc3)n2)ccc1N1CCCCC1 1473971837 IMYATRJJVNQJIE-UHFFFAOYSA-N 439.401 4.957 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(O)nc4cc(F)ccc34)cc2Cl)C1 1524705176 USWHHSDTKZUUGP-CQSZACIVSA-N 427.907 4.899 10 10 IJCE CN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1565519647 GKWHEQYDALZUCA-AOMKIAJQSA-N 445.003 4.727 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)[C@H]1C[C@H]1C 1636229422 GLJOJYFBIZXYRB-CPJLOUKISA-N 429.520 4.920 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 1860085330 FADKUYUOZIJBRF-LZYBPNLTSA-N 433.898 4.612 10 10 IJCE Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1cccc(Cl)c1 1861848875 RUMPPHXBSQSYAX-UHFFFAOYSA-N 441.874 4.862 10 10 IJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)cc2C1=O 1865898074 SIQCFEXFXHPTAJ-HNNXBMFYSA-N 429.476 4.708 10 10 IJCE CCc1nc2c(C)cccc2c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866273646 QQEFWNQOWMKFLH-RUZDIDTESA-N 441.579 4.733 10 10 IJCE CC(C)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870858603 QETLOCWKNIABNA-UHFFFAOYSA-N 434.584 4.800 10 10 IJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873424575 RYZHISUXAYOPHM-UHFFFAOYSA-N 429.520 4.703 10 10 IJCE CC[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2039843622 LLTRQKCNZISUNX-GOSISDBHSA-N 433.774 4.687 10 10 IJCE CC[C@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2039843623 LLTRQKCNZISUNX-SFHVURJKSA-N 433.774 4.687 10 10 IJCE C[C@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152187868 XODDIBUCYYJGHP-DLBZAZTESA-N 429.358 4.646 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2cc(Br)cc(F)c2O)C1 2156500127 TYBKRBJNOZFMCH-XJKSGUPXSA-N 445.373 4.857 10 10 IJCE CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S 2313507463 OCBJFGQBGSGBBT-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12)c1cc(Br)ccc1O 2355657246 KDOLRPPMZSCNEL-VDHUWJSZSA-N 439.394 4.983 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1ccccc1 15045226 MEVXWHSIJIHWLI-HKWRFOASSA-N 442.581 4.904 10 10 IJCE COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnc(-c4ccccc4)o3)CC2)cc1 20988555 SCKMRZOBIHDQGB-XMMPIXPASA-N 444.510 4.796 10 10 IJCE COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2O)CC1 34683600 DLRASFHTBJTNEM-UHFFFAOYSA-N 434.511 4.851 10 10 IJCE C[C@H]1CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382590971 ACVQPMNPJJBVQM-VMSUTVGLSA-N 429.358 4.648 10 10 IJCE Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805555 LOAFXKJYDDJHIQ-QGZVFWFLSA-N 445.441 4.789 10 10 IJCE COc1cc(Cl)cc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1O 761184234 UXQAFXIRPNZTGG-UHFFFAOYSA-N 430.854 4.922 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873164500 FENGRPNDGABRDP-UHFFFAOYSA-N 445.538 4.759 10 10 IJCE Cn1ccc2ccc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc21 1951591102 QBDCGEHWMQOQNG-QHCPKHFHSA-N 440.499 4.885 10 10 IJCE CN[C@@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)c(Cl)cc21 2034744472 YHRANIXTQHMGDK-VWLOTQADSA-N 448.998 4.691 10 10 IJCE Cc1cccc(Cn2nc(C(=O)OC(C)(C)C)c(Br)c2C(F)(F)F)c1O 2079177194 FKFBEJDFUDHGQQ-UHFFFAOYSA-N 435.240 4.682 10 10 IJCE CC[C@H](N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2094643753 WUYNYWOTEPMCND-SIUPPRGNSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CNCc3cc(Br)cc(F)c3O)CCC[C@H]12 2143589864 FESWIUONSBKAJI-JXFKEZNVSA-N 443.357 4.563 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)cc1Br 2151077099 VYMPFBBUFHHMCH-UZUQRXQVSA-N 428.418 4.960 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2ccc(Br)cc2I)c1 2240332286 UHFIRGAKUGCXPT-VIFPVBQESA-N 448.098 4.941 10 10 IJCE O=C1C(=CNCc2ccc(F)cc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 2293034679 RCSUAGJPKJQJLP-UHFFFAOYSA-N 428.492 4.860 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](CC)C(=O)O)cc2)SC1=S 2314929751 RFMSAJFZTBAJAR-KRWDZBQOSA-N 443.546 4.733 10 10 IJCE C[C@@H]1C[C@@H](C)CN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 2457291 ICKJYJIRMIKHLF-HUUCEWRRSA-N 433.508 4.798 10 10 IJCE CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1cccc(S(C)(=O)=O)c1 12811457 CDFPMPGPDHSNPG-UHFFFAOYSA-N 445.584 4.783 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2c(O)ccc4ccccc24)[C@H]2CC=C[C@H]32)CC1 14548105 ADJPMOFSTCQLPS-SBQVMTCPSA-N 439.559 4.760 10 10 IJCE N=C1/C(=C\c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 20324727 HVOYLMPFVVJKJC-AMWUQPRHSA-N 445.529 4.634 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCC)C1=O 33467324 RTMFAOAXEXITMX-SAPNQHFASA-N 444.626 4.606 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)c(O)c1 526324832 DRXMGBSYSYNJFY-QHCPKHFHSA-N 447.487 4.871 10 10 IJCE C[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708072617 GWBHQZFRXODLKM-FZMZJTMJSA-N 433.774 4.686 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)CC2)cc1 760222900 GULOFXRKMIVTCR-UHFFFAOYSA-N 430.504 4.653 10 10 IJCE Oc1cc(Br)ccc1CNCc1cc(Br)ccc1Br 1462110205 KJRNZKZPPVSGGF-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 1860085355 GHYDFQKTUSJJIW-LICLKQGHSA-N 432.954 4.598 10 10 IJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873424488 QEXSKORTVPNIIK-UHFFFAOYSA-N 429.520 4.703 10 10 IJCE Cc1c(C2(C)CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079797532 JXWOWEAXHRXLSX-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE CC[C@H](NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 2092545055 PCEJVODXOPOKPU-DOTOQJQBSA-N 427.383 4.841 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226263758 GSPYTEZBRJYEDL-FMKPAKJESA-N 431.346 4.543 10 10 IJCE COc1cccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)c1 2296755665 ZYCAXVWIQZVWLS-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE N=C1C(=Cc2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 2297350097 VJZKMBBUTDJLSR-UHFFFAOYSA-N 434.502 4.832 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)cc1 2297624366 IWNZDTHYJGZOCW-UHFFFAOYSA-N 444.443 4.628 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1 20236094 NKJWFYPPMPWNRO-KAHAOYAUSA-N 437.883 4.768 10 10 IJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccs3)CC2)cc1 20289548 QULFDIRNXBKOKN-VGSWGCGISA-N 441.622 4.500 10 10 IJCE COc1ccc(CN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1 33523527 TWPBCXVHAUMWPN-PVGUKEHMSA-N 439.558 4.813 10 10 IJCE COc1cc([C@@H]2c3cccn3CCCN2Cc2ccc(N(C)C)cc2)cc(OC)c1OC 37522840 DCDDETNSDDOPRR-RUZDIDTESA-N 435.568 4.575 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1C[C@@H]1CCCO1 59109244 HOGFFYAEXLFJHK-FUDBJYBQSA-N 443.956 4.609 10 10 IJCE Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(O)=NC1=S 96469716 ZGPMVNXNXXNCRQ-PDGQHHTCSA-N 446.484 4.933 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 526469595 UYHDLYKEJLJJEM-NRFANRHFSA-N 434.517 4.658 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715052847 DAKPJLFXAPGQLS-LYHRCORUSA-N 429.402 4.993 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 1865667988 ZMQZMMJNKROOTB-STZFKDTASA-N 428.488 4.543 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)CC2)cc1 1892075995 NPDYDKRDVWMFLX-UHFFFAOYSA-N 439.515 4.980 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(NCc2c(O)cccc2Br)cc1F 1962860010 BAOFLSQFEKDJIV-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(N=[N+]=[N-])CC1 1984695508 REFBPUDIUDGPQW-QHCPKHFHSA-N 447.539 4.851 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OC(C)C 2040446962 MRMHBBADPLARKV-UHFFFAOYSA-N 429.519 4.586 10 10 IJCE C[C@H]1C[C@@H](N(C)c2ccc(CNC3CC3)cc2Br)CN1Cc1ccccc1 2154841019 WCWPNMAAKQSMAB-LAUBAEHRSA-N 428.418 4.800 10 10 IJCE Cc1cccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)c1C 2296880198 VRFUQKDMJDAJDV-UHFFFAOYSA-N 445.363 4.794 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)C(=Cc4cccc(O)c4)SC3=S)ccc21 2318753413 VUPYQZPDBZFKOJ-UHFFFAOYSA-N 443.505 4.573 10 10 IJCE Cc1ccc(CNC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352690882 CTMPPVXYEPONHX-OAHLLOKOSA-N 427.383 4.590 10 10 IJCE CCC[C@@]1(NCc2ccc(C)c(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2352692032 HXSVSTLCKKJNPD-HXUWFJFHSA-N 427.383 4.732 10 10 IJCE CC[C@H](NC[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2358211612 GHPFHVNHMGJXRO-HUHSQHJXSA-N 439.394 4.841 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@@H](C)CC)cc3[C@H]3C=CC[C@@H]32)cc1 14543664 DCVDNPNPMBTPQW-LXGSUHORSA-N 426.582 4.989 10 10 IJCE COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 20070876 GTQLLNKHOIZCCS-FNZWTVRRSA-N 446.503 4.969 10 10 IJCE COc1cccc(CN2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O 36348458 DIKRVUYRNGFQCA-OAQYLSRUSA-N 427.888 4.759 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C/c1cccnc1 206364894 UOLSQSQTMYOBAZ-BOURKTIISA-N 426.501 4.609 10 10 IJCE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(Cc2cc(Br)ccc2O)CC1 769308411 PPDUJPDVUYQTNY-LJQANCHMSA-N 435.749 4.756 10 10 IJCE Cc1cc(Br)c(O)c(CNCCCOC2CCN(Cc3ccccc3)CC2)c1 781633017 NVRIEGJVENWHQT-UHFFFAOYSA-N 447.417 4.624 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cccc(NC(C)=O)c3)C1=O)cn2C 1860085454 MDFBAOGWLLHLOG-AWQFTUOYSA-N 437.546 4.551 10 10 IJCE Cc1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)ccc1Br 1860087379 TVYVNSOZCXYAQU-LZYBPNLTSA-N 434.336 4.892 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc(Br)c1O 1865667361 SNZPYZGTLJBWFB-CXUHLZMHSA-N 447.304 4.884 10 10 IJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCCCN4CCCC4)ccc3[nH]2)cc1 1872738570 DIIJKCAYNJJDIS-UHFFFAOYSA-N 433.600 4.682 10 10 IJCE CC[C@H](N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 1998332766 BRPNILYKYLECCK-FHWLQOOXSA-N 433.346 4.653 10 10 IJCE Cc1ccc(COc2ccc(C=C3SC(=S)N(CCCC(=O)O)C3=O)cc2)cc1 2296820925 VTQVNRXPENGWDY-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c(C)c1 2313560310 PKZRPFQOPGIUSO-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)c1O 2332124314 PAWQAEPVVXJLHY-UHFFFAOYSA-N 429.314 4.582 10 10 IJCE CC[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2361420067 FSYPRQYBHHLOQS-RHSMWYFYSA-N 439.394 4.843 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccs2)SC1=S 15046603 OIEBDMNZNSBPLE-AHEVQNHNSA-N 442.509 4.995 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)c1 16926841 GULXHNWOXFSLNW-WAOMKOKCSA-N 445.905 4.612 10 10 IJCE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 40937929 AVAJINGITZBBPV-PDGQHHTCSA-N 447.965 4.683 10 10 IJCE CCCCSc1cc(N)c2c(c1N)C(=O)c1c(N)c(SCCCC)cc(N)c1C2=O 205725947 LXXHLKYSLSHOIA-UHFFFAOYSA-N 444.626 4.575 10 10 IJCE CCCNCc1ccc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 382756373 OUTJQACIQUCITQ-FQEVSTJZSA-N 430.434 4.907 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/C(=O)O)cc1Br 383326342 LWGXUULREVZOFD-LHUXKHBRSA-N 429.358 4.505 10 10 IJCE C[C@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 705967982 PGTWHLZGSVPIRI-RTFZILSDSA-N 428.418 4.817 10 10 IJCE Brc1cc(CNCC[C@H]2COc3ccccc3O2)ccc1N1CCCCC1 1202868407 HKJXNTIFKYWWND-SFHVURJKSA-N 431.374 4.759 10 10 IJCE CC1(C)CN(c2ccc(C=CC(=O)O)c(Br)c2)CCN1Cc1ccccc1 1911911716 LDDIYFCKWXPLQI-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(Cl)cc1O 1951737361 ULUVYROEIYXOIC-DEOSSOPVSA-N 437.879 4.884 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 2169009952 UCVKNFCVLQWQDT-HXUWFJFHSA-N 429.358 4.648 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2293031368 DVXNLTYLSBEKLE-UHFFFAOYSA-N 427.425 4.641 10 10 IJCE CN(C)c1ccc(C=C[C@@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 2296842963 OIHKKOMEIAGTHL-HSZRJFAPSA-N 440.385 4.542 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2313609811 NTNIWQBDWQGDMP-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CC[C@@H](CCC(=O)N(C)Cc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2381126857 CIXYLTAGFURBBJ-HNNXBMFYSA-N 443.382 4.505 10 10 IJCE CC[n+]1c(/C=C2/Sc3cc(C)ccc3N2CCCS(=O)(=O)O)ccc2ccccc21 3656559 GYRAUDAWNBVUDK-UHFFFAOYSA-O 441.598 4.644 10 10 IJCE CCc1ccc(-n2nc(C)c3c(C(=O)NCc4ccc(N(C)C)cc4)cc(C)nc32)cc1 6902094 PVIIANFMJLVIEW-UHFFFAOYSA-N 427.552 4.596 10 10 IJCE CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14462808 SNFBEKCUXYGJKM-SGIRGMQISA-N 438.593 4.657 10 10 IJCE Cc1c(NC(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)cccc1C(=O)N1CCOCC1 108874038 ZLSSLLWVDFYCDK-SEYXRHQNSA-N 443.547 4.527 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)c1 526543663 WZZTUAYKXYAETH-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE Cc1ccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687753715 UPKGZVQRXZPLOY-AREMUKBSSA-N 431.488 4.929 10 10 IJCE C[C@H](c1ccccc1)N(CC(=O)NCCc1cccc2cccnc12)Cc1ccccc1O 776011313 SBFFAKSIYXNNOX-OAQYLSRUSA-N 439.559 4.863 10 10 IJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@H]1Cc2ccccc21 803272658 AZDMUEVYCSHWJE-GYZOOYGHSA-N 429.588 4.613 10 10 IJCE CN(C)c1ccc(CN(C(=O)NCc2ccc(OCc3ccccn3)cc2)C2CC2)cc1 918082877 DVTHGZKPHQQFCE-UHFFFAOYSA-N 430.552 4.601 10 10 IJCE Brc1cc(CNC2CCN(Cc3ccncc3)CC2)ccc1N1CCCCC1 1655325898 XJSSJLCLWJHYJP-UHFFFAOYSA-N 443.433 4.589 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858587159 OUVUJCNPMCMYQN-XDJHFCHBSA-N 434.627 4.715 10 10 IJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S 1860084461 ZFDONTOWHZSIIS-VCHYOVAHSA-N 430.507 4.796 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1OC 1865667746 NOMLWQISSUIZOM-HMAPJEAMSA-N 442.515 4.851 10 10 IJCE O=C(O)c1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 1865675413 GLSUWYASSNICMR-WQLSENKSSA-N 426.753 4.521 10 10 IJCE CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930906 VIVUBZZTJSSKRM-PXDATVDWSA-N 437.628 4.987 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3[nH]2)sc(C)c1-c1ccccc1 1866477913 ZOYROUQFXBGMBO-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE CCCN[C@H](C)c1ccc(N(C)C[C@@H](O)COCc2ccccc2)c(Br)c1 1916381815 LOYCREQRZHNOFK-YLJYHZDGSA-N 435.406 4.524 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNCc2ccc(Br)cc2O)CC1 2178640728 INPQCCDNNFUVRR-LDTOLXSISA-N 445.373 4.668 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 2296808170 ZYBLDCXLVJPMFN-UHFFFAOYSA-N 440.468 4.919 10 10 IJCE CCOC(=O)CCCN1C(=O)C(=Cc2c(OCC)ccc3ccccc23)SC1=S 2314739486 AEOCEYNBVUZTAI-UHFFFAOYSA-N 429.563 4.783 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2354386648 MFOYJHNJOUFROX-DZFGPLHGSA-N 428.418 4.688 10 10 IJCE C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 109295929 BZFOQCZQWSARSA-QGZVFWFLSA-N 427.976 4.544 10 10 IJCE CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21 251394782 XRCZNYLOLYGZOV-YJGYRPNBSA-N 434.536 4.975 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1867944837 WVUITKCYHAQZFJ-JOCHJYFZSA-N 445.401 4.936 10 10 IJCE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 1928774229 BSYVSRFYQIJNGM-SFHVURJKSA-N 432.520 4.903 10 10 IJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(Cl)ccc1O 1951727533 GBLPUPCBPCUFSW-DEOSSOPVSA-N 437.879 4.884 10 10 IJCE COc1cccc(Cn2nc(C(C)C)c(C3CCC3)c2I)c1O 2079824434 YMMGJFAGNFPKGX-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CCC[C@H]1CCN2Cc1ccccc1 2197393930 YFLCXHNYEGTJDM-PGRDOPGGSA-N 433.365 4.828 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 2296394117 ZMTUNRGUOPTZAN-UHFFFAOYSA-N 434.521 4.564 10 10 IJCE CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)NC1=S 2297316584 FAHNHKAKZINZPL-UHFFFAOYSA-N 449.345 4.635 10 10 IJCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314827600 IKWOYWZOLZNZGG-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2318684315 YYUBDCNQHUINHP-OAHLLOKOSA-N 437.464 4.603 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=O)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 1020994 BSXAOQQYQUHMLU-RCCKNPSSSA-N 425.554 4.672 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccc1C(F)(F)F 15035648 HIHHLCKEDNCRGZ-DHDCSXOGSA-N 440.443 4.684 10 10 IJCE COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)c1 20070992 DDQDXBMZGSZJRQ-NLFFAJNJSA-N 432.476 4.660 10 10 IJCE CC(C)C1=NN2C(=N)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 32964372 ISNVTDLHXMHXBY-GDXBMZNVSA-N 442.342 4.515 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1cc(Br)ccc1O)C1CCCCC1 381571008 GQYRFZLZNCIVFW-KRWDZBQOSA-N 427.383 4.718 10 10 IJCE CC[C@@H](NCC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 381881713 HHMULVPULOFIIK-DOTOQJQBSA-N 427.383 4.985 10 10 IJCE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Nc3c(O)ccc4ccc(O)cc34)cc2)n1 1088737017 SQYTVZNTDYJJGL-UHFFFAOYSA-N 449.492 4.874 10 10 IJCE CCn1c(O)nc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccc(OC)cc3)cc21 1616619861 GYYZNVSQVYKJFO-UHFFFAOYSA-N 444.535 4.683 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 1858594001 GVURALRZJXEYRD-RCCKNPSSSA-N 448.617 4.509 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(=O)C(C)(C)C)cc2)N2CCCCC2)cc1 1866220839 DLIXGAPLZAOXTP-XMMPIXPASA-N 435.612 4.938 10 10 IJCE O=C(O)CCCCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 2053510337 DNSTZHBUMFXLKH-UHFFFAOYSA-N 448.547 4.779 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2Br)cc1C 2080030209 JWYXGDHJFBAXHJ-CYBMUJFWSA-N 435.240 4.930 10 10 IJCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CC(=O)O)cc1Br 2153251969 BEZHNWUPHJXPTD-QGZVFWFLSA-N 429.358 4.648 10 10 IJCE COc1ccc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Br 2293215437 ZQRUJQJPZTVFAU-UHFFFAOYSA-N 440.322 4.762 10 10 IJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 2313683712 VFRZHVOAGHZLSP-UHFFFAOYSA-N 441.487 4.619 10 10 IJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=S 2331595175 VXDDQEKCJGLIKS-UHFFFAOYSA-N 444.553 4.700 10 10 IJCE CC[C@]1(CNCc2ccc(C)c(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2380811857 PLJRJTYUPGKAEE-OAQYLSRUSA-N 441.410 4.980 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@@H](C)CC)cc3[C@@H]3C=CC[C@@H]32)cc1 14543660 DCVDNPNPMBTPQW-VXUOGJGISA-N 426.582 4.989 10 10 IJCE COc1cccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)c1 59859881 BNDWDRNWSOLPMP-XNTDXEJSSA-N 429.270 4.581 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc2[nH]ccc2cc1O 687810180 RYCZIIYNGJLGSR-QHCPKHFHSA-N 442.471 4.928 10 10 IJCE CCN1C(=O)CCc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)ccc21 760074774 VEXXAXKGDLEYKV-UHFFFAOYSA-N 446.551 4.879 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080005724 ICQXIUKZWJVONL-LJQANCHMSA-N 449.345 4.803 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2cc(Br)cc(F)c2O)CCCCC1 2154861628 LIKKNPAUJOFSQG-UHFFFAOYSA-N 445.373 4.859 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1 2295914204 NXJWCTYXTKCTPT-UHFFFAOYSA-N 431.608 4.634 10 10 IJCE Cc1cc(Br)ccc1NCN1C(=O)SC(=Cc2ccc(N(C)C)cc2)C1=O 2297458036 KCYYRPZNXVLZSS-UHFFFAOYSA-N 446.370 4.929 10 10 IJCE CCOc1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 2297620300 ABKNEJZDHVGMRO-UHFFFAOYSA-N 426.831 4.599 10 10 IJCE CC1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 2314457927 RTUXFVZYKRGSKA-UHFFFAOYSA-N 429.549 4.637 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OC)SC1=S 2314769801 VLUVFCJYKVSWAZ-IBGZPJMESA-N 427.547 4.591 10 10 IJCE CC[C@@H](C1=NN2C(=N)/C(=C\c3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 20332246 SVWISZBRWILCKY-JDXOKHQUSA-N 442.500 4.606 10 10 IJCE CC(C)SC1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 96450422 GGNWWNPYTUQXHN-UWRFPUSRSA-N 441.494 4.573 10 10 IJCE CC(C)(C)NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586618800 KYLXBPZOPMJPLY-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CCN(C(=O)/C=C/c1cncc(C)c1)c1cccc(NC(=O)/C=C/c2cncc(C)c2)c1 772063481 IHFUMXTYSFZEBA-GFULKKFKSA-N 426.520 4.812 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc4ccccc4nc3O)cc2Cl)C1 1235836217 YUWNNZGDKMFOLM-MRXNPFEDSA-N 438.959 4.830 10 10 IJCE Brc1cc(CNC[C@H]2COC3(CCCCCC3)O2)ccc1N1CCCCC1 1308350641 NDYOOTHIENZVDC-IBGZPJMESA-N 437.422 4.995 10 10 IJCE Brc1cc(CNC[C@@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 1663167336 DWGJLVGKHHGOPD-IBGZPJMESA-N 437.422 4.505 10 10 IJCE CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666850 VUKCKVVHGJHGQP-CXUHLZMHSA-N 447.304 4.884 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(C=O)c2I)cc1C 2079977419 LTIFCUAICZNCKD-SFHVURJKSA-N 438.309 4.745 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3ccc(Br)cc3O)CCC[C@@H]12 2098312670 PEBNMXCGUVWCFJ-YLJYHZDGSA-N 425.367 4.567 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c(C)c1 2296549777 XWYYULGPMNYVKI-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccco2)SC1=S 2314837990 ZOCVHGDXOZMKAB-JTQLQIEISA-N 426.441 4.527 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CC2)cc1 8599259 DFUYCMWQSFDJKS-UHFFFAOYSA-N 435.955 4.738 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21 14469113 ZWZDGFFOLZEJFV-GLDPYIMESA-N 434.536 4.977 10 10 IJCE COc1cccc(CNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)c1O 301975930 DGEKTHDAGYJTAX-UHFFFAOYSA-N 426.687 4.519 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(Br)c2O)Cc2ccccc21 404481250 WZNORBHDCIALMV-MRXNPFEDSA-N 433.346 4.611 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc2[nH]ccc2cc1O 687742227 RYCZIIYNGJLGSR-HSZRJFAPSA-N 442.471 4.928 10 10 IJCE CCc1c(C)nn(-c2cccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)c1C 767095370 XXALXAZFONVECF-QHCPKHFHSA-N 433.552 4.579 10 10 IJCE Brc1cc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)ccc1N1CCCCC1 1202457460 QHHLOUOXRCFXLF-SIKLNZKXSA-N 430.390 4.844 10 10 IJCE COc1ccccc1-c1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c(O)n1 1587886377 MYFFAVVNDKRSIW-UHFFFAOYSA-N 427.504 4.800 10 10 IJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)F)c1I 2079228308 VIHGTPQRVSSEOO-UHFFFAOYSA-N 432.130 4.506 10 10 IJCE CCN[C@H](C)c1ccc(N(CCOCCOC)Cc2ccccc2)cc1Br 2152214960 MPSSMEGQVLGFEY-GOSISDBHSA-N 435.406 4.789 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cc(C)n(-c2ccccc2)c1C 2294082210 RCHXXQSQCHDQKT-UHFFFAOYSA-N 442.515 4.980 10 10 IJCE Cc1cccc(C(=O)Oc2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)c1 2296727689 YLGOBLMWDCUUGS-LJQANCHMSA-N 439.558 4.594 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3OC(C)C)C2=O)cc(OC)c1OC 2321692154 JCAGRWPIOVLXIB-UHFFFAOYSA-N 445.562 4.905 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471382 FCMNBQMWLLCLLL-JLHGSKIFSA-N 441.915 4.841 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@H]2C=CC[C@@H]21 14545455 UTPKHGMCQAUDBV-IUKKYPGJSA-N 426.582 4.989 10 10 IJCE CC1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 27515551 ZKFMDHMPISSDAV-KGENOOAVSA-N 437.521 4.876 10 10 IJCE CCCCOC(=O)c1ccccc1NC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1 170361341 SZDCXZWXOKOSTP-UHFFFAOYSA-N 431.492 4.529 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCc2cccc(OC)c2)cc1 205960343 WTSWYSZNPSVTNU-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1ccccc1 210758935 MEVXWHSIJIHWLI-HMMYKYKNSA-N 442.581 4.904 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 526572024 NCIUNNJVQLCTTL-OAQYLSRUSA-N 436.489 4.565 10 10 IJCE COc1ccc(N2CCN(C(=O)C3(Nc4ccc(Cl)cc4)CCCCC3)CC2)cc1 1873831730 FTSPUNBKJYIJDD-UHFFFAOYSA-N 427.976 4.812 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(N)c2I)C(C)(C)C)c(O)c1 2079012917 BLCLKXZNQLGEEY-QGZVFWFLSA-N 439.341 4.987 10 10 IJCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 2107377432 ISSMAYKAHQUBJF-MLGOLLRUSA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)N1C[C@](C)(CNCc2c(O)cccc2Br)CC1(C)C 2228502533 QLWMUYCNWWKQGL-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(F)c(Cl)c1 2296880174 UOYDIHSWRIBCSE-UHFFFAOYSA-N 438.908 4.848 10 10 IJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1 2314836839 KYEWYRJCCYOQEK-INIZCTEOSA-N 438.574 4.870 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC1=Cc1ccccc1O 2314952127 ULKPFAKZBRSSCA-HXUWFJFHSA-N 441.512 4.919 10 10 IJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1Br 2380796255 BSQKHLKTSQGTHR-HNNXBMFYSA-N 439.394 4.732 10 10 IJCE O=C(C1=CN(c2cc(Cl)cc(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 65096280 IDLQLFUJSXBKLM-UHFFFAOYSA-N 441.311 4.522 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)cc1O 687756161 XFXMTLXHQSYAEF-NRFANRHFSA-N 439.414 4.725 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OC(F)F 750899012 CENBYOAMDIMMRN-XFFZJAGNSA-N 438.315 4.670 10 10 IJCE COc1cc(O)ncc1C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 1160644735 AFWAMDQZUHEIFT-GOSISDBHSA-N 445.441 4.721 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668301 QLBDRDDJBSASTI-XQNSMLJCSA-N 428.488 4.543 10 10 IJCE CCN(CC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867964527 LGSGYCKTDGTHCM-UHFFFAOYSA-N 431.584 4.633 10 10 IJCE CCOCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1 1874170855 JRQUXKRUOMERLB-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE O=C(Cc1cc(Cl)ccc1Br)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891199929 YDBWDQPZIFRXJH-KXBFYZLASA-N 433.777 4.950 10 10 IJCE Oc1ccc(Br)cc1Cn1ncc(C2CCCC2)c1I 2070247129 RVHLVLZXVMEIMW-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)cc1 2296881409 FWTNGYBQESUAMV-UHFFFAOYSA-N 440.590 4.878 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1c(C)cccc1C 2297347192 GBANYPVWPUQDQV-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 210758203 VVAHMXVDGKLUCI-DTQAZKPQSA-N 431.608 4.852 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 226837705 KBZGXJDDVVVMJJ-JLHGSKIFSA-N 439.899 4.547 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)c1 526281515 GDXBZVMOWHMHSB-DEOSSOPVSA-N 440.503 4.695 10 10 IJCE COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)o1 1871287217 KUMCWMFGUVBYMI-VCHYOVAHSA-N 431.535 4.502 10 10 IJCE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](CO)N=[N+]=[N-] 1951354389 JREZRFAWJUVXFT-JTQLQIEISA-N 436.104 4.902 10 10 IJCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079027725 YPGBSHYWSHDGBJ-MRXNPFEDSA-N 438.309 4.611 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 2169009951 UCVKNFCVLQWQDT-FQEVSTJZSA-N 429.358 4.648 10 10 IJCE N=C1C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2295914083 MZSKGWKWNDXZEF-UHFFFAOYSA-N 448.401 4.586 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1 2297467680 JQAKZKIPDBCITG-UHFFFAOYSA-N 435.553 4.912 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC1CC(C)(C)NC(C)(C)C1 2297471320 XHMSXAYLDOIZNM-UHFFFAOYSA-N 439.629 4.972 10 10 IJCE CCCOc1ccccc1N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2321687359 ZEWMXKOLVLCICG-UHFFFAOYSA-N 446.506 4.504 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(OC)c(OC)c3)C1=O)cn2C 2321690882 MCIJZWGAGJKCBZ-UHFFFAOYSA-N 440.546 4.610 10 10 IJCE C[C@@H](CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)NC(=O)c1ccccc1 11967737 NXRMQCOQJIIVAW-UZTOHYMASA-N 438.527 4.960 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)c(OC)c1 20071110 RLUQDFPZOBALDB-HFZDXXHNSA-N 446.503 4.969 10 10 IJCE COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 103404780 QFMYAVBLEWPGRG-KGENOOAVSA-N 428.488 4.855 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526222380 UEAXMIXXDZCZTH-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526507095 QFTUVBBGJGMMHH-VWLOTQADSA-N 443.547 4.884 10 10 IJCE Cc1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c(C)n1-c1ccccn1 746911784 CUKJHASMYNEPMG-HXUWFJFHSA-N 449.555 4.703 10 10 IJCE CC(=O)[C@@H]1CC(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)=NN1c1ccccc1 1466397859 AWJJCCNEZUJRLI-CLOONOSVSA-N 441.531 4.706 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cccc(Cl)c2)cc1 1857992623 VMSIAMGAGAZTIX-UHFFFAOYSA-N 425.941 4.842 10 10 IJCE C[C@@H](NC(=O)CCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCCC1 1866251085 YWKOHBDQFLWWOF-QGZVFWFLSA-N 446.547 4.656 10 10 IJCE CCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164258 SLZHNNUHANAZRR-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE COC(=O)c1c(O)c(N=Nc2ccc(Cl)c(Cl)c2)c(O)n(-c2ccccc2)c1=O 1933317119 IFGOJOCKVKHRLR-UHFFFAOYSA-N 434.235 4.758 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 2044760839 QYFSZHRASUEGQG-WDJPJFJCSA-N 439.600 4.785 10 10 IJCE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2079007439 SNWOMLGJWNMURL-GOSISDBHSA-N 436.293 4.581 10 10 IJCE CN(CC[C@H](NCc1c(O)cccc1Br)C(C)(C)C)C(=O)OC(C)(C)C 2278583157 IZRYVRBFPDVFSQ-KRWDZBQOSA-N 429.399 4.916 10 10 IJCE O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 2297561573 LQNMPNZUJWZPTI-UHFFFAOYSA-N 438.299 4.723 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1C 2313560174 LUZGGHQUGIFTFM-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 15046055 QLLDPTCEJMSLOL-ZSAINHDTSA-N 432.954 4.577 10 10 IJCE CCCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 40940614 MQAAONNBCISHFU-XMHGGMMESA-N 426.563 4.720 10 10 IJCE C[C@H](NC(=O)c1cc2cccc(Br)c2o1)c1ccc(N2CCOCC2)cc1 109180221 JKSLYVNWOIDRHC-AWEZNQCLSA-N 429.314 4.523 10 10 IJCE O=C(O)[C@@H](c1ccccc1O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 227190797 SNMSGWVMNHOTFV-XMMPIXPASA-N 429.472 4.931 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 388800710 JMCYGBWGKOMDAO-ZZLBYYGFSA-N 429.358 4.648 10 10 IJCE O=C1/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)SC(=S)N1Cc1ccccc1 728609922 BLWSXPBGXXDFJC-NVMNQCDNSA-N 438.555 4.940 10 10 IJCE CCOC(=O)c1c(NC(=O)/C=C/c2cncnc2)sc(C)c1-c1ccc(Cl)cc1 1866149715 MPPLYMGCXIVHIE-RUDMXATFSA-N 427.913 4.996 10 10 IJCE CCCCOc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871114132 LBWHPVSODZAUSU-UHFFFAOYSA-N 448.567 4.519 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cc(Br)cc(F)c2O)CCC1(C)C 2131947247 LPUOZGICWKPQFR-CQSZACIVSA-N 431.346 4.562 10 10 IJCE CCCC1(NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1 2157594723 BHVOTRXYYJOZAV-UHFFFAOYSA-N 445.373 4.953 10 10 IJCE NCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163328663 VLMZENUEWFURMC-HSZRJFAPSA-N 428.418 4.790 10 10 IJCE COc1cc(OC)cc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1 2321741702 GRZPCUZYOOHFND-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323791440 GSXMYFBAFFBSNS-UHFFFAOYSA-N 443.590 4.902 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@@H]2C=CC[C@H]21 20748543 UTPKHGMCQAUDBV-PMAPCBKXSA-N 426.582 4.989 10 10 IJCE COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 33540978 IBNSGGUUPHQFPS-QGMBQPNBSA-N 446.286 4.657 10 10 IJCE COCCOC(=O)c1ccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1 54620308 DXLLGUVMTCYJCK-HSZRJFAPSA-N 432.476 4.847 10 10 IJCE COc1ccc(-n2nnnc2/C=C/Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 103895246 WJGHHOIZPIINNU-BUHFOSPRSA-N 431.883 4.638 10 10 IJCE CC(C)(C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 380480107 KVVCEYRKMGOTQX-RTWAWAEBSA-N 428.418 4.800 10 10 IJCE CC(C)(C)NC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586618689 IOLVDVLBGZFFON-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE Brc1cc(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)ccc1N1CCCCC1 1201842921 SHSHPKWNCVRHLF-NEWSRXKRSA-N 427.477 4.909 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)c1OC 1860086933 PXKUNJJYBDLZGE-LDADJPATSA-N 443.546 4.675 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865659051 ZLZGBLSWWGFSPC-XSFVSMFZSA-N 448.906 4.893 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc(OC)c1O 1865679876 KXKUJVSKCMQADU-YBEGLDIGSA-N 442.393 4.911 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3ccccc3)C2=O)cc1 1873167034 PJZKXJZOYSTZCN-UHFFFAOYSA-N 427.548 4.620 10 10 IJCE CCOc1cccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1951381969 DABMLUBHINFAIO-QFIPXVFZSA-N 447.487 4.845 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2Br)cc1C 2080003930 TVGFUBWIYOUPMQ-KRWDZBQOSA-N 432.362 4.508 10 10 IJCE CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C1CCC1)c1cc(Br)ccc1O 2137702393 QOPZLVHCPIYWQQ-IRXDYDNUSA-N 427.383 4.889 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNCc2cccc(Br)c2O)C1 2151667006 KYNQIPOHXDPAAP-INIZCTEOSA-N 439.394 4.672 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131960 YMDCWMFJOIBNDQ-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352941006 LFFNTVGQZWCKNL-GOEBONIOSA-N 427.383 4.636 10 10 IJCE CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1 14480646 RJDMCEDGSYFWKP-MIZPHKNDSA-N 426.582 4.989 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 54620854 FTSLHCHJTZUMRX-QHCPKHFHSA-N 443.503 4.730 10 10 IJCE Nc1ccc(CN(C(=O)c2cc(Br)c(Br)s2)C2CC2)cc1 128341120 VOKVNVLCXSQBMT-UHFFFAOYSA-N 430.165 4.660 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CNC2CC2)c(Br)c1 382781860 SVDPCSZXBADOGN-IBGZPJMESA-N 428.418 4.659 10 10 IJCE CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 526157693 IQVOAFGNKUELER-JOCHJYFZSA-N 434.517 4.643 10 10 IJCE Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 743241308 KVFVTACLVIGZMG-UHFFFAOYSA-N 432.524 4.723 10 10 IJCE COC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1 756702690 CNAFBDCRGHEMJY-ZBEGNZNMSA-N 429.152 4.956 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OC 1858587892 GTBDXZBDRUVWOO-XSFVSMFZSA-N 429.563 4.634 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cccc21 1859707633 WUXSIHNBNYKUQV-UHFFFAOYSA-N 445.430 4.974 10 10 IJCE CC[C@H](NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2105029529 AXKLZZGTRFZFDZ-ZUEVXXBESA-N 431.346 4.591 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2137359213 VVDHHVVPZFJANQ-LOHUMSBYSA-N 445.785 4.590 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2c(O)cccc2Br)CC12CCC2 2176874241 ZXAZDFQYVRGGTH-HNNXBMFYSA-N 439.394 4.814 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 2294025406 TTWMGCOWMPEUFV-UHFFFAOYSA-N 437.304 4.682 10 10 IJCE Cc1[nH]c2ccccc2c1C=C1C(=N)N2N=C(Cc3ccc(Cl)cc3)SC2=NC1=O 2296400339 TVDLFMOHSMZJNZ-UHFFFAOYSA-N 433.924 4.992 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314532905 NWONGSCAVDSWJF-UHFFFAOYSA-N 433.352 4.813 10 10 IJCE Cc1ccc(CN[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352952735 PSMWOQPDXKOYHG-ZBFHGGJFSA-N 427.383 4.588 10 10 IJCE COc1ccc(Br)c(CNCc2sc(Cl)cc2Br)c1O 2369906112 JRSQFKNAPXBXDD-UHFFFAOYSA-N 441.572 4.931 10 10 IJCE Cc1ccc(CNC[C@]23CC[C@@H]2CCCN3Cc2ccccc2)c(O)c1Br 2380799478 ZHGILORDLWMMBK-NZQKXSOJSA-N 429.402 4.998 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226777608 UOSMDAFBLHQGFX-FUHIMQAGSA-N 433.371 4.526 10 10 IJCE CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN(C)[C@@H]3c3cccs3)cc2)CC1 743600625 PWFCRBBZQYMBPB-QPPBQGQZSA-N 440.657 4.867 10 10 IJCE Cc1nc(NCC(=O)NCc2cc(Cl)ccc2O)c2cc(-c3ccccc3)sc2n1 1300396355 PDWQPIWMQTVNCW-UHFFFAOYSA-N 438.940 4.754 10 10 IJCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1540567554 QDACFLNAMVSGNB-UHFFFAOYSA-N 429.442 4.832 10 10 IJCE Brc1cccc(OCCSCCNCc2ccc(N3CCCC3)cc2)c1 1655641318 MWMIGBCLKUQYCY-UHFFFAOYSA-N 435.431 4.951 10 10 IJCE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)C1 1705918157 DJBTZJXETNDTKF-GOSISDBHSA-N 441.626 4.674 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1O 1860086119 LIWLMSDHVFSXKS-XMHGGMMESA-N 426.563 4.797 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cccc(C(=O)O)n2)sc(C)c1-c1ccc(Cl)cc1 1866064816 GCQRKMZMZJNHDC-UHFFFAOYSA-N 444.896 4.899 10 10 IJCE CN(c1ccc(C=CC(=O)O)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 1911852102 JMCYGBWGKOMDAO-FQEVSTJZSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)NCCC1CC(NCc2cc(Cl)cc(Br)c2O)C1 1965998376 LJWIBPSERCFJHQ-UHFFFAOYSA-N 433.774 4.591 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2078982992 XEQXKZBLFKINQQ-SFHVURJKSA-N 438.309 4.827 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@H]2CCCC[C@H]21 2241004252 JMBKBWCWMRPTLT-UWWQBHOKSA-N 439.394 4.813 10 10 IJCE CCOc1ccc(-n2c(C)cc(C=C3NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 2297316328 WZHJILDHHWPWKS-UHFFFAOYSA-N 433.483 4.725 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cccc(O[C@H](CC)C(=O)O)c3)SC2=S)cc1 2314930394 CMTQTWSQRMKMSC-GOSISDBHSA-N 427.547 4.897 10 10 IJCE Cc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(C)n1-c1ccccc1 3175244 WELSZEIUODNEBT-XMHGGMMESA-N 428.579 4.940 10 10 IJCE COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)c1 20071125 WONHHMLATAJLGC-RLWLMLJZSA-N 446.503 4.969 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20686230 WUISBDGWKZDSKW-RQTOMXEWSA-N 437.609 4.754 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O 33337779 VQJNTDHQCFMOSI-PXNMLYILSA-N 436.352 4.878 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N(C)C2=S)cc1 33719117 YDIPJBUMPFJTDE-HAHDFKILSA-N 443.572 4.884 10 10 IJCE Cc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 33719652 RBFJAEVURWEERP-QZQOTICOSA-N 449.601 4.561 10 10 IJCE Cc1cnc(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc1O 1473035264 DPDHYRAVSYFKCW-UHFFFAOYSA-N 432.343 4.636 10 10 IJCE CSc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 1860087799 UQWGHJKLELRMMM-XMHGGMMESA-N 428.604 4.651 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc(Br)c1O 1865667291 PLXICXPSDRFMBZ-MHWRWJLKSA-N 445.313 4.758 10 10 IJCE Cc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 1865671759 CEIFZJJSWACUEY-ZROIWOOFSA-N 425.204 4.812 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679764 FMPIMFUUZTWWBN-FYJGNVAPSA-N 444.487 4.561 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873167289 ZSDSWXOCKPQUNG-JPYJTQIMSA-N 433.596 4.998 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(C(F)(F)F)cc1Cl 1891684037 GLVSEEOFWRCYDQ-YOEHRIQHSA-N 444.906 4.826 10 10 IJCE CC[C@H]1CC[C@@H](NCc2cc(Br)cc(F)c2O)CN1C(=O)OC(C)(C)C 2102264414 IYENJEKYXCCLNG-CABCVRRESA-N 431.346 4.562 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255622 PVMOSVNNPYFAEG-RBDMOPTHSA-N 429.402 4.993 10 10 IJCE Cc1cc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294040576 VAKVZBZFEDRNJB-UHFFFAOYSA-N 435.867 4.574 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2294134284 ZPGHSNHXZZZPFK-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2296233773 WTAXSXDEXXXSRF-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE COc1cccc(N2C(=O)NC(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C2=O)c1 2296946503 GLKIDTGNOKFVLJ-UHFFFAOYSA-N 437.455 4.510 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2297470145 LUSDRCFESDEHBS-UHFFFAOYSA-N 445.470 4.838 10 10 IJCE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 33417368 SQRDUYLBUVTAIU-JNCKMBBWSA-N 448.548 4.728 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2ccc(OC)cc2OC)cc1 205963337 VPPZGYPAZZEZQB-JJIBRWJFSA-N 443.503 4.849 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)c1OC 526253546 WOUXBQRHVDAXFC-QHCPKHFHSA-N 447.487 4.789 10 10 IJCE CC(=O)c1cccc(OCCCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 1435074272 IDUNYBSMRQWQAM-UHFFFAOYSA-N 436.474 4.705 10 10 IJCE C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1677301236 XOHPZYCZFZVZGI-HKMWZRITSA-N 425.548 4.684 10 10 IJCE CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930905 VIVUBZZTJSSKRM-OFVILXPXSA-N 437.628 4.987 10 10 IJCE CCc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872882645 RBRWAXAKPXGQQT-UHFFFAOYSA-N 429.564 4.832 10 10 IJCE CC(C)(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179777 OVWBYOZDTHYAMS-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2098555386 IKVTXPVFDBODJC-QMCVQRASSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 2102638552 UUYIOVRCIIRTNY-AGGWBTHJSA-N 445.785 4.543 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1O 2236043913 NHGOXIPVVYLXLR-PFRQMTDMSA-N 432.358 4.637 10 10 IJCE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)cc1C 2293188337 SCJOJUMLUYTXGG-UHFFFAOYSA-N 444.534 4.500 10 10 IJCE Cc1nn(-c2ccccc2)c(N)c1N=Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl 2296437783 QHVBDWZOQBMLLW-UHFFFAOYSA-N 426.285 4.732 10 10 IJCE C[C@@](Sc1nccs1)(C(=O)O)c1cc(Br)c(Br)s1 2327015679 UCEKPODBJBUTMG-JTQLQIEISA-N 429.180 4.822 10 10 IJCE Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1 14205315 IUYQSZPBLKQESA-UHFFFAOYSA-N 438.369 4.819 10 10 IJCE Cc1cccc(OCCCOc2ccc(C)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33643061 BMVACIFBXSDEEH-MOHJPFBDSA-N 442.515 4.613 10 10 IJCE CC1=CSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N12 49589748 WFPBQHOJIXEUQI-PUYZJMEQSA-N 439.924 4.965 10 10 IJCE CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCCC(=O)O)c(OC)c2)SC1=S 210445601 OUMLPWSHDUPJIK-UYRXBGFRSA-N 443.546 4.517 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1cc(Br)ccc1I 701377747 WQHUCEUSLVWJPF-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)ccc1OCC(C)C 1084041363 LMGIVPNSVDMIKP-MOSHPQCFSA-N 444.487 4.550 10 10 IJCE COc1ccc(N2CCN(S(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)CC2)cc1 1892103172 VPVCXCLJRUKJGM-UHFFFAOYSA-N 442.968 4.527 10 10 IJCE Cn1ccc2ccc([C@@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc21 1951591100 QBDCGEHWMQOQNG-HSZRJFAPSA-N 440.499 4.885 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)ccc2O)CC12CCCCC2 2155200788 IEERWVGMJIQAJN-KRWDZBQOSA-N 439.394 4.957 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2)c1cc(Br)ccc1O 2279110896 HJCDRHPVDDXDRE-WMZOPIPTSA-N 439.394 4.985 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C 2294037414 BRXMBGITQONWKG-QHCPKHFHSA-N 448.563 4.563 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 2297468954 JOZAKGMSHUHDHS-UHFFFAOYSA-N 431.443 4.584 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2cccc(C)n2)cc1 2313682582 GLJARODJKXGCKB-UHFFFAOYSA-N 428.492 4.544 10 10 IJCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)Nc2cccc(Cl)c2)cc1 27521067 LVVGRTZVNJEKDL-HMAPJEAMSA-N 437.902 4.955 10 10 IJCE Cc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 210673295 UWSOIWLGZZUUJJ-CXUHLZMHSA-N 436.480 4.854 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 250209573 YFVIWWKOABGUEL-XQNUDUSMSA-N 444.984 4.624 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 700879710 AFIXRWMWSGIQJZ-BVPBIZIASA-N 439.394 4.983 10 10 IJCE c1ccc(OCc2nc(CNCc3ccc(N4CCN(CC5CC5)CC4)cc3)cs2)cc1 768669187 FHRLZXASIQIEHI-UHFFFAOYSA-N 448.636 4.544 10 10 IJCE CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 770292452 QHXHNEAEIIVAKK-HSZRJFAPSA-N 444.491 4.851 10 10 IJCE Nc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1865872449 DIPWYYVECBHCQC-UHFFFAOYSA-N 430.291 4.736 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(C(C)C)C2=O)cc1 1873423986 LDOTUCJLSTZCPB-UHFFFAOYSA-N 444.491 4.603 10 10 IJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](CC)c2ccc(OC)cc2O)c1Br 2080055880 LVMBLZSOQXONGK-AWEZNQCLSA-N 439.350 4.833 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](C2(NCc3cc(Cl)cc(Br)c3O)CC2)C1 2090169798 WCMIMZGZDOUGJD-CYBMUJFWSA-N 445.785 4.687 10 10 IJCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CC(=O)O)cc1Br 2153251968 BEZHNWUPHJXPTD-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)o1 2293763570 KTVFURJHNVKIGS-UHFFFAOYSA-N 438.530 4.909 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc([N+](=O)[O-])c1O 2294746045 RFKVAGJLPHVGKQ-UHFFFAOYSA-N 436.251 4.812 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2ccccc2)cc1 2297300057 MEVABVAPVJZIJB-RUZDIDTESA-N 432.545 4.562 10 10 IJCE CC(=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)c1ccc(Cl)cc1 2314539565 WBJZLTQYTAXOPR-UHFFFAOYSA-N 433.894 4.532 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2cccc(O[C@H](CC)C(=O)O)c2)SC1=S 2314930353 BPOLSQAZMLUZKN-QGZVFWFLSA-N 443.546 4.733 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314932991 QWIOPOXSDZPWFL-CQSZACIVSA-N 443.546 4.570 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cc2ccncc2)cc1 2321710525 RGICOQQCYHHEPG-UHFFFAOYSA-N 432.526 4.807 10 10 IJCE CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccc(C)c(C)c3)c3ccccc23)C1=O 27549055 GFVASXIEZRQXHP-KGENOOAVSA-N 431.492 4.659 10 10 IJCE COc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O 33572563 SECBAODWXGQCJW-JJJWLNEWSA-N 442.953 4.859 10 10 IJCE Cc1nnc(NC(=O)c2cccc(N3C(=O)/C(=C\c4ccccc4)SC3=S)c2)s1 35168514 FFTRNZYATLBCHV-MHWRWJLKSA-N 438.559 4.505 10 10 IJCE Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(C)c1Cl 38642786 DGHMFGCQLLKOGR-UGKGYDQZSA-N 445.003 4.998 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 210444503 NPAMCAGGVUVOPQ-UNOMPAQXSA-N 443.546 4.571 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 226796370 NXYKKFJFNRCUAZ-MVERNJQCSA-N 446.572 4.740 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526355224 VURKBBVVDCZBFD-DEOSSOPVSA-N 442.515 4.905 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 702101660 ZCIBODOBUBWURL-BOCKYXSRSA-N 428.418 4.688 10 10 IJCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(CCc4ccc(F)cc4)C3=O)n12 1858591747 YNAGFEVOXVVTII-RIYZIHGNSA-N 437.974 4.941 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 1865672234 RCMJSCRTKVRVCT-ZROIWOOFSA-N 441.203 4.512 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)c(C)c1 1865970095 GPSRQXBUYOFHSN-AWEZNQCLSA-N 446.569 4.979 10 10 IJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=S 1871287896 ZRDGUNXIKDGMMD-XDHOZWIPSA-N 426.563 4.561 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952582316 SKXAXAOWFWXCSA-YLJYHZDGSA-N 427.497 4.744 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2cccc(Br)c2O)CC1 2102867778 GQYVSDMYKTVIQN-SHTZXODSSA-N 427.383 4.575 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151266595 PISZNEOHSPADFP-DFNIBXOVSA-N 432.381 4.679 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2154522772 SVBCNSQTCDNHOP-IBGZPJMESA-N 433.365 4.971 10 10 IJCE NCc1cc(F)c(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163306466 MZPGJHRFBQAEEK-QFIPXVFZSA-N 432.381 4.539 10 10 IJCE CN[C@H](C)c1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c(Br)c1 2234703569 TXJSCCDEUHZETF-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2243918105 BCAPSXYWYYNYTP-HXOBKFHXSA-N 447.539 4.851 10 10 IJCE Cc1cccc(OCCOc2ccc(Cl)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2296400265 KJMBFJVCQHVKIW-UHFFFAOYSA-N 448.906 4.568 10 10 IJCE Ic1ccc(N=NN2CCN(CC=Cc3ccccc3)CC2)cc1 2330186063 CFCHVBPLIJUOLL-UHFFFAOYSA-N 432.309 4.621 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCCC[C@H]23)c(O)c1Br 2380797579 INLDVIFKOIFDGC-ZACQAIPSSA-N 439.394 4.731 10 10 IJCE O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21 13639999 GKLAUDIIQMPJSJ-WZOHSFFVSA-N 426.516 4.897 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2)N1CCc2ccccc21 20706928 SXYAVMGTKJWCAB-XMERXJNXSA-N 444.556 4.970 10 10 IJCE CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 34107621 NBMQMWIHTFEJFK-PGMHBOJBSA-N 432.593 4.509 10 10 IJCE CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)s1 109310407 HCPULIKQZYXCHG-XMMPIXPASA-N 430.529 4.762 10 10 IJCE CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 745646198 CAJCSTCBHHNKSY-UZUQRXQVSA-N 443.563 4.625 10 10 IJCE C/C(=C/c1ccccn1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1539360840 IVBDRCORDZMKTE-OWBHPGMISA-N 434.297 4.596 10 10 IJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1 1858586979 MAIDNISDJDRIBQ-SFQUDFHCSA-N 439.480 4.994 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 1858594378 WWZOPOZYTQANOT-YLQKULKDSA-N 437.464 4.603 10 10 IJCE O=C1/C(=C\c2ccccc2Br)SC(=S)N1CCc1nc2ccccc2[nH]1 1860086771 GIJAUYSKAQYWCC-LFIBNONCSA-N 444.379 4.769 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865678753 BZCOUKSHROKSFG-HYARGMPZSA-N 446.478 4.682 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NCc1ccc(Br)cc1O 1924845371 PFQZXHCNRYNELA-MAUKXSAKSA-N 439.394 4.718 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3c(O)cccc3Br)CCCCC[C@@H]12 1966047050 ACSDAUXAOLBEPM-NQIIRXRSSA-N 439.394 4.957 10 10 IJCE CCc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 2040479864 BLNIMHKBWJNKAW-INIZCTEOSA-N 447.603 4.917 10 10 IJCE Cc1ccc([C@H](n2nc(C(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079064034 RSEGZWVSVSNPAM-AWEZNQCLSA-N 448.251 4.887 10 10 IJCE CCCN[C@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21 2095879809 RSMSLYXSIVSPLO-HHHXNRCGSA-N 442.607 4.818 10 10 IJCE O=C1C(=Cc2ccccc2Cl)SC(=S)N1CCC(=O)N1CCCc2ccccc21 2296755659 YLNZNACDUZDMCT-UHFFFAOYSA-N 442.993 4.911 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1C 2313559008 OYZUGFUSFUKUQX-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CCCCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c1 2314769843 WBHXVEKIFIQKON-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836931 LVNQFISOPWMSLW-GFCCVEGCSA-N 447.379 4.678 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)O 2314932921 PXIWEGPFOZGBQH-OAHLLOKOSA-N 433.938 4.988 10 10 IJCE CC[C@@H](NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355433137 BETZHWFSXCWYFV-OXXUSNJHSA-N 439.394 4.983 10 10 IJCE C[S@](=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 11967372 UMJRVTZWHMEWGS-VVFBEHOQSA-N 429.541 4.943 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)c1OC 33417043 LVQVESPZPICUQW-WQLSENKSSA-N 437.304 4.682 10 10 IJCE C[C@@](Nc1ccccc1Br)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094006 JPFZQDYZBDYGTH-QFIPXVFZSA-N 425.326 4.841 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 708077231 QARKSONZHWKEGG-ZAAXVRCTSA-N 435.793 4.808 10 10 IJCE CCCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OC 2040483617 CBRLMNLAUXBYBH-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CCc1c(C(C)C)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079822854 OJXFRBLDDVHSGJ-UHFFFAOYSA-N 438.231 4.946 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)cc1C 2079856317 SLNQXDGYQAWELG-AWEZNQCLSA-N 449.283 4.965 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2NCc2cccc(Br)c2O)CC1 2144613322 MZQFAJDRMPQNAZ-KRWDZBQOSA-N 439.394 4.814 10 10 IJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2294216455 DXNVVUNVNKTWDM-UHFFFAOYSA-N 442.327 4.615 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2296882140 JZQFHGSMNZKGQN-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1 2314836840 KYEWYRJCCYOQEK-MRXNPFEDSA-N 438.574 4.870 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2O)C(C(F)(F)F)=NN1Cc1ccccc1F 2332124735 KFRSYCMOYAYRMJ-UHFFFAOYSA-N 443.194 4.638 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 2332127312 LGKLGXYSGHYEFD-UHFFFAOYSA-N 430.891 4.941 10 10 IJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C 33332249 MARBATGQZTXFPV-NDENLUEZSA-N 448.906 4.697 10 10 IJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 40940206 ONZLRFXGDMUHOV-LICLKQGHSA-N 432.954 4.673 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)c(C)c1 59860183 GWEKOTXAFSTMBM-RGEXLXHISA-N 448.479 4.709 10 10 IJCE Cc1nc2ccc(C(F)(F)F)cn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71459980 CUBWFIYJSXPNDG-UHFFFAOYSA-N 449.388 4.689 10 10 IJCE Cn1ncc(Br)c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 779204707 RWHXLEFOJGIFJC-SDQBBNPISA-N 448.289 4.607 10 10 IJCE COc1ccc(OC)c(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1 1865668346 RWEDMAGUPFRYLE-LCYFTJDESA-N 442.796 4.840 10 10 IJCE CCOc1c(Br)cc(/C=C2\C(=O)N(CC)N=C2c2ccccc2)cc1OC 1865671056 HUJMSGFIJZFAAF-WJDWOHSUSA-N 429.314 4.506 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(C3CC3)C2=O)cc1 1873170716 NHEFHHDCUJJHLE-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE Cc1nn(Cc2cccc(Br)c2O)c(I)c1C1CCC1 2079670724 DHQTVLHRMRSUOR-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CC[C@H](N[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2095057894 FVZOSMPIWNRJKM-GUYCJALGSA-N 427.383 4.841 10 10 IJCE CCCN[C@@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21 2095879810 RSMSLYXSIVSPLO-MHZLTWQESA-N 442.607 4.818 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cccc(Br)c3O)CCC[C@H]12 2098311848 MNOPHRFNHMFSIN-JXFKEZNVSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)ccc2O)CC12CCCC2 2098975964 MTOOITIOSUWWLD-MRXNPFEDSA-N 425.367 4.567 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935584 UECWHXDCUZBRNF-SLYNCCJLSA-N 429.402 4.851 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1 2296741728 OEAXWIUFYPJSIT-UHFFFAOYSA-N 442.349 4.512 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(CCCCN(CC)CC)C2=O)cc1OCC 2323831796 FJEQQINTIPBXKB-UHFFFAOYSA-N 436.643 4.807 10 10 IJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 3195935 AEJXDXBTVHTSFF-PDGQHHTCSA-N 436.518 4.669 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2cccs2)cc1 17098503 HPINHGGZSRNBFG-CJLVFECKSA-N 433.533 4.580 10 10 IJCE C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(OC)cc3)cc2)SC1=S 33430332 IRNXETAQTZTDSQ-PGMHBOJBSA-N 441.574 4.930 10 10 IJCE O=C(O)CCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S 34981602 NCZIPQVLNGMXAC-CKNGIZQFSA-N 437.542 4.813 10 10 IJCE COCCCN1C(=O)/C(=C/c2cc(-c3cccs3)nn2-c2ccccc2)SC1=S 98026693 FYYSSEIMTYMNGX-RGEXLXHISA-N 441.603 4.839 10 10 IJCE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])C[C@@H]1C[C@H]3O 118913535 CXCNNXQZTWDFHG-PGHAKIONSA-N 433.593 4.767 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2ccc(I)cc2Br)c1 312335460 CDFVJVGTCUNWHI-VIFPVBQESA-N 448.098 4.941 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058964 SIPROZNIZAWARD-RBDMOPTHSA-N 429.402 4.993 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N[C@@H](Cc3nccn3C)c3ccccc3)c2C)cc1 742858158 LDIJCLLLKFYELM-DEOSSOPVSA-N 428.536 4.550 10 10 IJCE COc1ccc(C[C@H](C)N(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 1322210879 NHLYVXMJGSGWDV-PKOBYXMFSA-N 447.526 4.538 10 10 IJCE Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1C 1860344947 JTDCBWDXBDPGMQ-UHFFFAOYSA-N 448.526 4.830 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675447 IQHYZFSHFGLYOY-XMHGGMMESA-N 432.863 4.881 10 10 IJCE CCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871144334 HVDVZOWQGBUDDX-UHFFFAOYSA-N 449.551 4.946 10 10 IJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873166589 SGAQCGYBLDNKKW-UHFFFAOYSA-N 441.575 4.928 10 10 IJCE CN[C@H](c1ccccc1O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2146248135 FQVMBENSPXEYJE-IEBWSBKVSA-N 435.362 4.551 10 10 IJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2294745985 DIKMDTLPBSFFAD-UHFFFAOYSA-N 444.230 4.623 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(C)cc1C 2297335531 NFFQAIZFYRZKBH-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE Cc1cc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)ccc1[N+](=O)[O-] 2321742436 FCJWZIMLZIROMZ-UHFFFAOYSA-N 430.536 4.635 10 10 IJCE COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc([N+](=O)[O-])c(C)c4)C3=O)c2c1 2321742675 ZABHNMQXLVVXBE-UHFFFAOYSA-N 425.491 4.799 10 10 IJCE O=C(Nc1cc2nc3ccccc3[n+]([O-])c2cc1NC(=O)c1ccccc1)c1ccccc1 48524507 AWVKISSUZJIFSB-UHFFFAOYSA-N 434.455 4.526 10 10 IJCE C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccc(N2CCOCC2)cc1 109180457 BVTRPKFWTPDDBV-SFHVURJKSA-N 427.504 4.822 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526503277 CUUOSAAGVKVENO-RUZDIDTESA-N 443.547 4.884 10 10 IJCE CC(C)N1CCN(c2cccc(NC(=O)c3cccc(OCc4cscn4)c3)c2)CC1 767383339 LQRJYWZFNZOHQD-UHFFFAOYSA-N 436.581 4.505 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccccc2Br)C1=O 1860074843 SAYLTEGJAKWFHL-XNTDXEJSSA-N 430.352 4.811 10 10 IJCE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4cccc5ccccc45)SC3=S)ccc21 1860087878 YDLGGGQQYFTLLI-RGVLZGJSSA-N 432.526 4.601 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(O)c3cccc(O)c3n2)sc(C)c1-c1ccccc1 1866483859 OZLYIDYNEKKGMB-UHFFFAOYSA-N 434.473 4.722 10 10 IJCE Cc1ccc(Cl)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866510629 CYGCTHOHFLSXIA-UHFFFAOYSA-N 442.858 4.518 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CC5CCCCC5)[nH]c4c3)CC2)cc1 1872798163 MUTABCIMXXEHKW-UHFFFAOYSA-N 432.568 4.657 10 10 IJCE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1O 1902249736 LOJXGANIDUMAAW-KRWDZBQOSA-N 442.515 4.641 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@H]1CN(Cc2ccccc2)CC2(CCC2)C1 2151124567 BKBTZKPXBUWIOU-LJQANCHMSA-N 433.365 4.828 10 10 IJCE O=C(O)C=Cc1ccc(N2CCCN(Cc3ccccc3)CCC2)c(Br)c1 2152578087 JMPDZSXPVJACBO-UHFFFAOYSA-N 429.358 4.649 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3ccc(Br)cc3O)CCC[C@H]12 2165301576 HXVWHILLHOAGDL-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 2313559876 AEMNNKXFXNUHKY-UHFFFAOYSA-N 432.501 4.968 10 10 IJCE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837662 VNMIGMDSGHWVRX-AWEZNQCLSA-N 440.590 4.918 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)ccc1O 2321692910 LOTXGNSJGPVQGO-UHFFFAOYSA-N 426.563 4.797 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1OC 2321742671 XYCVCOFIPXTGOS-UHFFFAOYSA-N 430.507 4.716 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F 15037687 QBHYYLPDOXJLCJ-VBKFSLOCSA-N 436.480 4.935 10 10 IJCE Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(O)=NC2=S)c1 34690097 JKFWNYPDDJLBLQ-PDGQHHTCSA-N 446.484 4.933 10 10 IJCE O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)OC1CCCCC1 40884777 CHEGEKSKVXXCLI-GDNBJRDFSA-N 440.384 4.526 10 10 IJCE Cc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(C)n1-c1ccc2c(c1)OCCO2 106013856 WOJQDKWHFMWNLW-UHFFFAOYSA-N 433.508 4.712 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226745357 YMEMSAGTWABUIU-XFQAVAEZSA-N 447.944 4.763 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)c1 526619905 PZCAVCVJLNYUPR-NRFANRHFSA-N 443.377 4.581 10 10 IJCE CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 778559042 JNMDLSLTMGBCDJ-UHFFFAOYSA-N 444.409 4.800 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 1084012850 RCSLHWOPJSEJST-UYRXBGFRSA-N 447.535 4.681 10 10 IJCE Cc1cc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)ccc1Br 1084607485 CKWXBCMFSGBOJV-LDADJPATSA-N 435.277 4.577 10 10 IJCE COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1OC 1859120360 WYURUUCCBKNQLO-UHFFFAOYSA-N 447.535 4.593 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc([N+](=O)[O-])c1O 1860073432 FGCKCHUTHXWNQT-OVCLIPMQSA-N 436.898 4.677 10 10 IJCE C[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2103298970 GYTVLYYEDQSZHI-SWLSCSKDSA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@H](NCc3cccc(Br)c3O)C2)CC1 2155238112 BYQSUWLZSNYDIJ-INIZCTEOSA-N 439.394 4.814 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)SC1=S 2294821350 IBPAJWXNXAWGLT-UHFFFAOYSA-N 439.436 4.784 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 2296929601 OGODDNYDZUKBDN-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE CCN(CC)c1ccc(C=C2C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1 2297365753 LMDYXSNTDFPKBE-UHFFFAOYSA-N 447.564 4.539 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 2297470725 BZZMGCIJWBFZET-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2297554535 DORLYAZPFPVNMT-UHFFFAOYSA-N 434.380 4.902 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=CC3=Cc4ccccc4O[C@@H]3c3ccccc3)S2)C[C@@H](C)O1 2314432951 IHLSEVPMTLNXFC-SAHWJRBASA-N 432.545 4.826 10 10 IJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S 2314769519 RLXRQXQGYNKCAB-FQEVSTJZSA-N 441.574 4.979 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 2314932110 KOEGBOKQDMNDHX-AWEZNQCLSA-N 443.546 4.511 10 10 IJCE O=C(Nc1nccs1)/C(Cc1ccccc1)=C1\SC(=S)N(c2ccccc2)C1=O 211947594 NCNHWZYVPDCCFR-MSUUIHNZSA-N 437.571 4.643 10 10 IJCE C[C@H](Nc1ccc(I)c(Br)c1)c1cc(O)ccc1O 381794571 HZXAUMDLLOYQSI-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)cc1F 687756100 SDRWHHVNBAFCDI-HXUWFJFHSA-N 439.414 4.725 10 10 IJCE COc1cc(C)cc(O)c1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687756248 GTKJGYXYOBXVGR-OAQYLSRUSA-N 447.487 4.764 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708124211 DJXGHRWUWXXRCK-KBPBESRZSA-N 433.774 4.590 10 10 IJCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)ccc21 748675792 UDHCRYRHDYYENZ-UHFFFAOYSA-N 449.557 4.673 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cc(Cl)cc(Br)c2O)CC1 1474300047 AVKBCDXTTZAYPO-CYBMUJFWSA-N 447.801 4.935 10 10 IJCE CC(=O)c1cc(F)ccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1535362187 XNWDRFIHPWMNOJ-BOPFTXTBSA-N 448.566 4.710 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)c(OC)cc1Cl 1860084513 QGJDIHYPIUTHHX-LICLKQGHSA-N 445.953 4.719 10 10 IJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2079037234 FVKNEXBJNQOPPH-ZDUSSCGKSA-N 433.224 4.766 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 2293225654 BTJPLIIRESCDHK-UHFFFAOYSA-N 431.496 4.858 10 10 IJCE COc1ccccc1N1C(=O)C(=CC=Cc2ccccc2)C(=O)N(c2ccccc2)C1=S 2297316038 YHUWIRJGTSQDEW-UHFFFAOYSA-N 440.524 5.000 10 10 IJCE CCOC(=O)COc1ccccc1C=C1SC(=S)N(CCC2CCCCC2)C1=O 2297561506 HKYUCNURVVPFFP-UHFFFAOYSA-N 433.595 4.800 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCc1ccccc1 2314832003 XPCUHCOSKWQMRR-UHFFFAOYSA-N 430.982 4.638 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Br)cc1 2332134485 BXHBQRCFZAISBD-UHFFFAOYSA-N 440.175 4.706 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Br 2381144227 XQSQQAZSCLBKAX-IXDOHACOSA-N 439.394 4.588 10 10 IJCE O=C1N=C(N2CCCCC2)S/C1=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 33920583 XVBFXAFESRJVHV-FMQUCBEESA-N 437.952 4.713 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 34707132 NQIQANAYQIOFTA-NCNWTYLVSA-N 448.548 4.872 10 10 IJCE Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)/C=C\c3ccccc3OC(C)C)cc12 104370340 BWCDKTDJCZCDDK-XFXZXTDPSA-N 444.579 4.734 10 10 IJCE Oc1c(CNc2ccc(I)cc2Br)ccc(F)c1F 703211610 AWGJYBJKSHISOJ-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(Cc2cc(Br)ccc2O)CC1 769308401 PPDUJPDVUYQTNY-IBGZPJMESA-N 435.749 4.756 10 10 IJCE Cc1cc(C(=O)Nc2cccc3c(O)nccc23)c(C)n1-c1ccc(Br)cn1 1157889107 JHYNHYCBTYRWPA-UHFFFAOYSA-N 437.297 4.758 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O 1616051158 LMHFKHXJIQJBHJ-HNNXBMFYSA-N 429.879 4.817 10 10 IJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(F)cc(F)c1O 1952144956 ZLPVUOIMQAVEDX-XMMPIXPASA-N 439.414 4.509 10 10 IJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C=O 2079954790 RBPWIGRQRSHLMJ-QGZVFWFLSA-N 440.325 4.821 10 10 IJCE CCC[C@]1(NCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2101405912 QYAAYESLYMLKDP-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CN(Cc1ccc(Br)cc1CN)c1ccc(CNC(=O)OC(C)(C)C)cc1 2162987331 LRMNUYBSYWGMMO-UHFFFAOYSA-N 434.378 4.569 10 10 IJCE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2297350330 XQIRFZJAYBGQNJ-UHFFFAOYSA-N 441.361 4.687 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 2297470646 FGPRQNZREHKWLP-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2314739903 BJQCQWJXPVHYCY-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314931764 QLNQPGGYSJDFDK-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 2318757215 XVFCYXALLQLJQJ-UHFFFAOYSA-N 443.546 4.978 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332106984 BICMHMUBKWHUPV-UHFFFAOYSA-N 445.313 4.758 10 10 IJCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14471720 IDUXWXBPJPSBTQ-SXWKCWPCSA-N 439.537 4.596 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 14473449 KBZGXJDDVVVMJJ-PNLZDCPESA-N 439.899 4.547 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccccc2)SC1=S 15046551 ICRRPUCNDIXCIH-YUSFRKCESA-N 436.480 4.934 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 206255612 SSGIVMPNPXTGAF-RGEXLXHISA-N 426.563 4.725 10 10 IJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 208739500 WGICQABYDVXJFN-LICLKQGHSA-N 439.587 4.753 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1OC 210560556 URBKFNLFUKEXQG-CPNJWEJPSA-N 426.494 4.655 10 10 IJCE Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCc1ccc(N2CCCCC2)cc1 742589179 OIKZWUHULVOCTK-UHFFFAOYSA-N 445.592 4.775 10 10 IJCE CC(=O)N(C)c1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 744428274 BQCFNQXWQHGSEJ-QHCPKHFHSA-N 441.491 4.829 10 10 IJCE CCc1c(C)nn(-c2cccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)c1C 767095369 XXALXAZFONVECF-HSZRJFAPSA-N 433.552 4.579 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)nc1C(F)(F)F 801717256 WOYWLFVKOYVZEW-UHFFFAOYSA-N 448.239 4.631 10 10 IJCE Brc1cc(CNCc2ccnc(OCC3CC3)c2)ccc1N1CCCCC1 1473979932 KFGFNWORJFXAKD-UHFFFAOYSA-N 430.390 4.913 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1O 1648180207 WJLITGPEVPNRRV-UHFFFAOYSA-N 434.511 4.635 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1858087145 PNUQIXBJHMMRIO-VWLOTQADSA-N 436.502 4.844 10 10 IJCE COc1cccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1OC 1865672578 GQTPYBDRPNCPTP-XFXZXTDPSA-N 442.796 4.840 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675340 BTQPAZMUABYJCV-QGOAFFKASA-N 434.879 4.897 10 10 IJCE Cc1cc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(C)c1Cl 1865928749 RRNZVMVZHRVQPL-QHCPKHFHSA-N 444.019 4.745 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)sc(C)c1-c1ccc(C)cc1 1865950718 FIIGHFIBDKIJGO-IBGZPJMESA-N 447.560 4.808 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cc(C)ccc4C)c3)CC2)cc1 1872850225 QLCFBCZSTXOGCX-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CN(c1ccc(C=CC(=O)O)cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 1911874633 QFWFNZJEHWIASN-IBGZPJMESA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)CC1(C)C 2098837165 BNSUVZPDKJCVAR-AWEZNQCLSA-N 431.346 4.562 10 10 IJCE C[C@H](NCc1cc(Br)cc(F)c1O)c1csc(NC(=O)OC(C)(C)C)n1 2114319326 OJJXZSJUMSVHBA-VIFPVBQESA-N 446.342 4.948 10 10 IJCE NCc1cc(F)c(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260525 FNXLLHDIICYBCC-UTKZUKDTSA-N 432.381 4.538 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@@H]2CCCC[C@@H]21 2179392433 IFZBTZLXHHPICD-MPGHIAIKSA-N 439.394 4.670 10 10 IJCE CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(OC)cc2)SC1=S 2297347225 GSTGFGRFFBNAFA-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE CN(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 13643793 WUISBDGWKZDSKW-WRALFONMSA-N 437.609 4.754 10 10 IJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048762 XOBPNROLWLPXNX-QJMZJAKPSA-N 431.608 4.669 10 10 IJCE O=C(O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)o1 33323892 BNJSQIJWVJLKAV-GZTJUZNOSA-N 436.807 4.805 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 33413169 RHWDWMQPCLVGSC-BACOSTCQSA-N 448.548 4.872 10 10 IJCE CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C(=O)O1 59406668 ZDBXSSONXUEDBG-UHFFFAOYSA-N 432.856 4.776 10 10 IJCE CCOC(=O)c1c(NC(=O)CCC(=O)c2cc(C)ccc2OC)sc2c1CCCC2 170583331 MHVDNVIJMJMSIB-UHFFFAOYSA-N 429.538 4.722 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084096144 VYVKOLJCHUOMOF-JCMHNJIXSA-N 427.504 4.720 10 10 IJCE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CNCc2c(O)cccc2F)cs1 1207623468 UGYAOFALYSXPKH-UHFFFAOYSA-N 439.434 4.981 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1 1860085342 FLVRUAIBAPNIHI-FYJGNVAPSA-N 442.606 4.951 10 10 IJCE CCOc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870785486 QUGNARSAYAEKHN-UHFFFAOYSA-N 434.584 4.945 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cscc1Br 1881483798 SSCNFEGWUWRCCE-QGZVFWFLSA-N 440.407 4.672 10 10 IJCE O=C(O)CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951604238 RMXJCNQSPKAFMF-INIZCTEOSA-N 447.487 4.585 10 10 IJCE C[C@@H]1C[C@@H](N(C)c2ccc(C=CC(=O)O)c(Br)c2)CN1Cc1ccccc1 2154831594 LVBMJNSEBVRFSE-OXQOHEQNSA-N 429.358 4.646 10 10 IJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1F 2296709398 BYXHFDUWYYOLNJ-UHFFFAOYSA-N 439.537 4.908 10 10 IJCE CN1C(=O)C(=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 2297559048 GRHSJZXNKNWVIO-UHFFFAOYSA-N 435.357 4.741 10 10 IJCE CCCCC[C@H](O)C=C[C@@H]1c2cc(CCCCC(=O)O)n(-c3ccccc3)c2C[C@H]1O 2297721789 CZIIGGQJILPHEU-SGIRGMQISA-N 425.569 4.773 10 10 IJCE CCN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 2313538498 LEXHAUNBOJJTSD-UHFFFAOYSA-N 431.451 4.516 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC)C(=O)O 2314932546 NRMBPVQTMYLFLD-INIZCTEOSA-N 443.546 4.651 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1 2321741728 KECDJGABTBNQAF-UHFFFAOYSA-N 442.606 4.951 10 10 IJCE CN(C)c1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 2332096419 FTUYQTZAAOCTHS-UHFFFAOYSA-N 425.813 4.889 10 10 IJCE Cc1ccc(CN2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(O)c1Br 2381133846 UFCUFAUFNJVPDL-CTNGQTDRSA-N 429.402 4.807 10 10 IJCE CN(C)c1ccc([C@H]2CC(c3c(O)c4ccccc4oc3=O)=NN2c2ccccc2)cc1 13120489 SRPNYYOWOVUYIP-JOCHJYFZSA-N 425.488 4.920 10 10 IJCE COc1ccc(N2CCN(C(=O)C3=Cc4sc5c(c4CS3)CCCC5)CC2)cc1 20557590 GEOUIHABOWABOZ-UHFFFAOYSA-N 426.607 4.572 10 10 IJCE CC1=NN(S(=O)(=O)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 100869491 FBAIRVPDQCNTGO-CPNJWEJPSA-N 426.881 4.590 10 10 IJCE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 745780782 VKFOEHBDBHQLGB-PWHSHALESA-N 425.573 4.922 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)c1 749370730 WNUPCEMFFBLYRX-UHFFFAOYSA-N 433.552 4.647 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 1858594377 WWZOPOZYTQANOT-KFXIKWRMSA-N 437.464 4.603 10 10 IJCE CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 1915163250 MIXYXZIRWXWUCU-AREMUKBSSA-N 439.600 4.730 10 10 IJCE CNCc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163317081 HHNYRPFFGKCFGQ-QHCPKHFHSA-N 428.418 4.661 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@H](CNCc1cc(Br)ccc1O)c1ccccc1 2175016273 CZKTWARNXKUXBH-GOSISDBHSA-N 435.362 4.853 10 10 IJCE Cc1ccccc1N1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)NC1=S 2296179660 PPMFQRRARUFIAX-UHFFFAOYSA-N 437.524 4.975 10 10 IJCE O=C(CCCN1C(=O)SC(=Cc2ccccc2)C1=S)Nc1cccc(C(=O)O)c1 2297450111 YFAPFDRRUXKZBJ-UHFFFAOYSA-N 426.519 4.641 10 10 IJCE Cc1ccc(CNCC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381133856 UHWFHYGYSIEJNS-KKSFZXQISA-N 439.394 4.732 10 10 IJCE Cc1nc(-c2csc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)c2)sc1C 33297694 RFLIKUJVLYZPTE-UHFFFAOYSA-N 447.651 4.957 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)O3)cc1 96715609 OXJIFNBQJPQUCA-YDZHTSKRSA-N 447.922 4.708 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526351939 CBJFTJOFRKLVCQ-HSZRJFAPSA-N 446.478 4.736 10 10 IJCE CCCOc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC 731048036 DIVJTMADKBEBSE-UHFFFAOYSA-N 425.573 4.720 10 10 IJCE Brc1ccc(CNCc2ccc(N3CCSCC3)cc2)c2ncccc12 1660965196 BYIUFIOUINTYEA-UHFFFAOYSA-N 428.399 4.840 10 10 IJCE CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1cccc2c1C(=O)c1ccccc1C2=O 1859889562 OVNOGHQHUXUZQX-ZRDIBKRKSA-N 446.484 4.887 10 10 IJCE C[C@]1(C2CC2)CN(c2cc(Br)c(CN)cc2F)CCN1Cc1ccccc1 2151077654 BQCBTPMXYOVHDD-JOCHJYFZSA-N 432.381 4.538 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1 2294028536 STPOBHVNWMQTIB-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)ccc1OC 2321690880 LQAUOGOQQXHOBA-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE Cc1ccc(CNC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352691502 GDZCUPCEYVJXTP-KOMQPUFPSA-N 427.383 4.636 10 10 IJCE CN(C)c1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2511600 XHAJHJPVWVFPNP-DEOSSOPVSA-N 430.504 4.807 10 10 IJCE CCN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC1=S 2916006 FENZKTBTKXVYOA-ZROIWOOFSA-N 441.315 4.772 10 10 IJCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccccc1 13914416 DUGYMTGJYYGZJU-XQNSMLJCSA-N 425.488 4.819 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1 33432217 IZACBFSGCBGGMK-LANLRWRYSA-N 441.574 4.654 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccs3)=NN12 102446853 ZVEDHDUSOWRFMJ-WQCWKDQBSA-N 437.937 4.860 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(C)c(C)c4)c3)C(=O)N=C2S1 103473272 RGIUBTQBHXKZJS-ONWPUYBOSA-N 448.548 4.790 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@@H]2C)cc1 504109541 KROIZQLPVOFDSY-PLMCSYHQSA-N 438.612 4.520 10 10 IJCE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526282976 YQCPETLVQJACFN-XMMPIXPASA-N 440.503 4.695 10 10 IJCE COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1 526414499 GZJSWUUQXCQURB-LJQANCHMSA-N 429.881 4.879 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1 526609518 GKWLDZLGZPRNBD-DEOSSOPVSA-N 445.471 4.756 10 10 IJCE COc1ccc(O)c(CN(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1 770687811 FBCJVFBEGHEEBR-HSZRJFAPSA-N 429.463 4.738 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)ccc3F)C2=O)cc1 1865673559 LFSKUSKKIHLXQW-ZROIWOOFSA-N 443.194 4.945 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)sc(C)c1-c1ccccc1 1866072392 PRZCONLXDOCDJQ-UHFFFAOYSA-N 436.464 4.743 10 10 IJCE COC(=O)c1c(NC(=O)[C@H]2Oc3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866224066 NWYMIUOGDUBTOK-NRFANRHFSA-N 435.501 4.709 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873165337 IRKHWQQWCKTOHG-UHFFFAOYSA-N 439.559 4.906 10 10 IJCE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 2297313903 KVYICKHCBSDCCC-UHFFFAOYSA-N 428.579 4.677 10 10 IJCE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OCC 2313549145 OEZPYLDNAQWUQT-UHFFFAOYSA-N 444.487 4.694 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1 2321646788 SAVZDHIQVIPJII-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE COc1cc(C=C2C(=O)N(C)N=C2c2ccccc2)cc(Br)c1OC(C)C 2332127370 QMPNUVDNCGHRJS-UHFFFAOYSA-N 429.314 4.505 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc1 14461820 GEENEKORTDYGQL-HWBMXIPRSA-N 431.580 4.832 10 10 IJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15048810 IMHWDEMWIINLMK-XNYAHFKXSA-N 444.390 4.678 10 10 IJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 248011007 GFIXJXZQKIBGFF-VWLOTQADSA-N 449.576 4.929 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526333508 OOHKAGBVFKICFC-QFIPXVFZSA-N 433.533 4.830 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCCNCc2cc(Br)cc(F)c2O)CC1 715792861 RNRVYKFBDODILT-UHFFFAOYSA-N 445.373 4.811 10 10 IJCE Cc1c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cccc1-n1cnnc1O 1450747637 UIPGVJJLJQLBGZ-UHFFFAOYSA-N 435.915 4.523 10 10 IJCE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858685012 XQMKJYNOPUMFBA-INIZCTEOSA-N 434.496 4.552 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1 1859076052 XFCNVFROQSQVGJ-OUKQBFOZSA-N 430.464 4.565 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1866091159 LFQKAEDWMWEQPR-UHFFFAOYSA-N 426.450 4.685 10 10 IJCE CCNCc1ccc(N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c(Br)c1 1921449692 LKASSMCSLCGPFK-RTBURBONSA-N 430.434 4.905 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148936868 ZTIHMHXKDAPKAX-MISYRCLQSA-N 429.402 4.851 10 10 IJCE COc1cc(NCc2cc(Br)ccc2O)ccc1CNC(=O)OC(C)(C)C 2192979688 OSHKWYBSCDTGIT-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 2243911118 OIJYNDHUXJIRRI-SFHVURJKSA-N 444.531 4.888 10 10 IJCE CCn1cc(C=C2C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc21 2296160392 PQJDCSYJFPQWSC-UHFFFAOYSA-N 425.513 4.646 10 10 IJCE O=C(NN1C(=O)SC(=Cc2ccc(Cl)cc2Cl)C1=S)c1ccccc1O 2297330711 PBAYWIFVQBZAFS-UHFFFAOYSA-N 425.318 4.881 10 10 IJCE CCOc1cc(C=C2C(=N)N3C(c4ccccc4Cl)=CSC3=NC2=O)ccc1O 2297458239 XCFKESJSTUGMPA-UHFFFAOYSA-N 425.897 4.749 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 2314831112 CREHEPVVYQZUON-UHFFFAOYSA-N 444.553 4.932 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1c1cccnc1 2321742702 OAIIFFXQFMJPIY-UHFFFAOYSA-N 427.732 4.609 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 2323790611 XHFLKXSPBFKECH-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc(Cl)c1O 2332139626 ASOYRXUGXNGCJW-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2N=CNC2=N3)cc1 2915188 BQZSUPHEWNVWTL-IZZNHLLZSA-N 435.531 4.865 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccccc1 15043698 OFWAFVPKTFBVLE-CYVLTUHYSA-N 426.563 4.793 10 10 IJCE CCOc1ccc(/C=C2\N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 100318361 GGIWLCVUWZEMAP-QJOMJCCJSA-N 428.488 4.937 10 10 IJCE Cc1cc(/C=C\C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccccc1 206616053 UUXNFSHPTGBIOJ-SEYXRHQNSA-N 442.607 4.668 10 10 IJCE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)cc1 586199635 ZJZUUCIGONIOMA-UHFFFAOYSA-N 433.529 4.766 10 10 IJCE CCC(CC)(CNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 708075313 HYVGSKLNIFVLEG-UHFFFAOYSA-N 435.790 4.981 10 10 IJCE CCN1CCN(c2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)c2)CC1 770155667 VZLHEYYJJVEWCR-UHFFFAOYSA-N 448.592 4.703 10 10 IJCE Cc1cc(C)c(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)c(O)n1 917940802 OBKRAZGLHHGGCX-UHFFFAOYSA-N 428.330 4.504 10 10 IJCE Brc1cnn(CCCCNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 1651022391 XRGSCVNWQNHKME-UHFFFAOYSA-N 439.401 4.778 10 10 IJCE Brc1ccccc1C[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 1654569935 NMGBHBMOVZGLEC-QFIPXVFZSA-N 429.402 4.883 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1 1860085474 MZUOLVGFLYNXEJ-VGOFMYFVSA-N 448.982 4.722 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952582306 SKXAXAOWFWXCSA-FXAWDEMLSA-N 427.497 4.744 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2NCc2ccc(Br)cc2O)C1 2156252334 VBVPUXRJQHBGTN-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2)o1 2293749598 ZANZUWUHOCITGO-UHFFFAOYSA-N 427.243 4.920 10 10 IJCE CC(C)c1ccc(N2C(=O)C(=Cc3cccn3-c3ccccc3F)C(=O)NC2=S)cc1 2294216934 RABGMOYVNMSJNY-UHFFFAOYSA-N 433.508 4.571 10 10 IJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2296147253 PPBVNMBBBKDIDH-UHFFFAOYSA-N 441.270 4.915 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 20679795 XTSWQQWGLPKRBG-TZBSWOFLSA-N 432.545 4.697 10 10 IJCE CCOCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 20683609 HRPQZWBYLPQOAP-IEGUWTFLSA-N 425.525 4.954 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226740246 FCMNBQMWLLCLLL-DRSNIGMVSA-N 441.915 4.841 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226795856 PGLHIPQGTYVVLQ-DBXWQHBBSA-N 447.398 4.962 10 10 IJCE C[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2Br)CCN1Cc1ccccc1 382605238 RGCBJBILMTXGRY-PXAMLJHWSA-N 429.358 4.648 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)cc1 1137386458 DSOMDSPHKCFGDB-UHFFFAOYSA-N 434.923 4.542 10 10 IJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1snnc1C 1705870574 UQWHUAOPQKOLIC-UHFFFAOYSA-N 445.596 4.739 10 10 IJCE CCOc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872871605 IIHLEBWHIDHXJB-UHFFFAOYSA-N 446.547 4.635 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2078983852 KGOMCNAUAUZWFC-KRWDZBQOSA-N 440.325 4.507 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1Br 2079037231 FVKGISKRRLTXTE-CYBMUJFWSA-N 435.240 4.710 10 10 IJCE CC[C@@H](N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2099669631 LCHMSVCZNKUUPP-NKKGCODLSA-N 425.367 4.593 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226276643 GSPYTEZBRJYEDL-SQWLQELKSA-N 431.346 4.543 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 2314765016 ROKZNTFRCMIOJJ-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OCC)c3ccccc3)C2=O)cc1 2314767970 JKVBFPZSMDWCTG-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314769868 WKCFAQPSYIGNSE-IBGZPJMESA-N 427.547 4.591 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(OC)cc1 17099138 DFBNYEAWEWXELA-CJLVFECKSA-N 434.565 4.914 10 10 IJCE CCn1c(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc2ccccc21 38910560 ZSRCMOMDWNQBOP-UHFFFAOYSA-N 446.576 4.756 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Cl 101113826 WGRFRHYEGLCMMA-NTEUORMPSA-N 435.665 4.729 10 10 IJCE CC[C@@]1(CNCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 706821288 BEJNKVJMLCZRCP-FQEVSTJZSA-N 427.383 4.672 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 708159308 WPWMOLSIQUZAMP-SMDDNHRTSA-N 433.774 4.591 10 10 IJCE Brc1ccc(C2(CNCc3ccc(N4CCOCC4)cc3)CCCC2)cc1 1200724246 UMVODWLXZUOUJR-UHFFFAOYSA-N 429.402 4.887 10 10 IJCE Cc1sc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)nc1-c1ccc(Cl)cc1 1307648484 OYUCXSWCXYNAQJ-UHFFFAOYSA-N 442.972 4.675 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1644504381 LLAZDCASVHXMAS-QHCPKHFHSA-N 436.980 4.861 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 1860084991 DYFIMFDHDLQAGV-UDWIEESQSA-N 445.562 4.907 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2c2ccc(OC)cc2)ccc1O 1865650072 TZJBKFUUQPIMKM-HYARGMPZSA-N 446.478 4.769 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)CCC2(c3ccccc3)CCCC2)c2nccn2C)cc1 1866229014 UFCLEIRBLOLDGI-VWLOTQADSA-N 430.596 4.984 10 10 IJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873423338 BSNIPXMYBZFESR-UHFFFAOYSA-N 441.531 4.897 10 10 IJCE CC(C)(C)c1nn(Cc2cc(F)ccc2O)c(I)c1C1CCC1 2079715266 BDEQCWRLEMZPSV-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE COc1cccc(Cn2nc(C(C)(C)C)c(C(C)C)c2I)c1O 2079772848 UFWZNYBLFLTZRM-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1)c1cc(Br)ccc1O 2154820458 VIVYJQGBQUTUJS-RDJZCZTQSA-N 439.394 4.985 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)[C@@H]1C(C)(C)C 2192482148 YSYNWFUPGAHWGA-DOTOQJQBSA-N 445.373 4.808 10 10 IJCE O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 2297320555 BFALLFKMZIWRHO-UHFFFAOYSA-N 443.684 4.824 10 10 IJCE CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2313504844 LGNKQOONTFJJBV-UHFFFAOYSA-N 431.704 4.750 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 2321576625 UYPMDADVQYLKRV-UHFFFAOYSA-N 440.861 4.507 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)C=Cc2ccc3cnccc3c2)N2CCCCC2)cc1 2330259201 ZPFRBYMNZBBMFZ-AREMUKBSSA-N 428.580 4.657 10 10 IJCE CC/C(NC1Cc2ccccc2C1)=C1/C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 21345043 UMDMRUPXVQBYGR-QPLCGJKRSA-N 437.543 4.867 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccnc2)N3)cc1 226897336 DXMILAKBEOWIPD-ZFGGDYGUSA-N 433.533 4.718 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 254806478 URQOLDRXHMGBON-UHFFFAOYSA-N 447.451 4.872 10 10 IJCE CC[C@]1(CNCc2cccc(Br)c2O)CCCCN1C(=O)OC(C)(C)C 311394109 FBRRQOUELVDGPA-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)c1 526619908 PZCAVCVJLNYUPR-OAQYLSRUSA-N 443.377 4.581 10 10 IJCE CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586694016 WVNWNDQBHOOPHH-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)o1 1084083865 FFYGAIYGIJXPHY-FYJGNVAPSA-N 445.431 4.922 10 10 IJCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1527245090 HJYDRFDQRWXYJL-QINSGFPZSA-N 438.877 4.915 10 10 IJCE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1634023058 VBOIGYLXOLTNOD-SJLPKXTDSA-N 437.971 4.708 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(C[C@@H](c2ccccc2)N2CCCC2)C1=O 1858594198 PIQMIUMCBSYSCG-GDUPUGJQSA-N 448.617 4.681 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(N2CCCCC2)cc1 1860085449 LZTZILNKNLCLIQ-XMHGGMMESA-N 425.535 4.991 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)cc2F)sc(C)c1-c1ccc(C)cc1 1860750536 PSMMCAHAHFSVGS-UHFFFAOYSA-N 440.496 4.843 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCC2)sc(C)c1-c1ccc(Cl)cc1 1860759305 SPXBZRIPEFMEGT-UHFFFAOYSA-N 434.945 4.551 10 10 IJCE CC1(C)CN(c2ccc(C=CC(=O)O)cc2Br)CCN1Cc1ccccc1 1911907289 KTDYTQIIFUAPKE-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccc(Br)c2O)C(F)(F)CC1 2161227551 KPOPJXDYMHGCHE-AWEZNQCLSA-N 449.336 4.527 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2cccc(Br)c2O)CC1(C)C 2228494774 PWZKLSCHKVUAHX-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE CSc1ccc(C=C2C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 2297467657 BAKGFLPARULIPU-UHFFFAOYSA-N 426.954 4.924 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2297469556 UQVCCDXCTLBNDF-UHFFFAOYSA-N 449.536 4.962 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313559917 BLCQPEQPSNZFNF-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCCC(=O)O 2314933344 ASIPUDOBXVEWST-UHFFFAOYSA-N 443.546 4.653 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 2318683314 BSVVWGFVXMDJDA-UHFFFAOYSA-N 426.563 4.632 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734257 MPOKUUFMVYAUDU-UHFFFAOYSA-N 439.436 4.762 10 10 IJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131172 JVXPHOUHDFHJJI-HDEZJCGLSA-N 439.394 4.635 10 10 IJCE O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CC(=O)N1CCCc2ccccc21 33317050 SIORYBFWPMCVIX-LDADJPATSA-N 428.966 4.521 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 226692687 QLCIFXRDEDEWDD-TZBSWOFLSA-N 432.545 4.740 10 10 IJCE CC(=O)c1cc(F)c(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)c(F)c1 436044895 XZWAXMBGZYXHNJ-UHFFFAOYSA-N 425.479 4.527 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526216596 MYMAXKCZKPQHPE-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC[C@@H]1c1nc(C2CCOCC2)no1 575314009 RMYZNMCQWZFBMT-HSZRJFAPSA-N 448.567 4.551 10 10 IJCE CC(=O)N(C)c1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 744263973 ANIFWVJIDFPKDO-QHCPKHFHSA-N 441.491 4.829 10 10 IJCE COC(=O)c1c(NC(=O)c2cn(C)c(O)n2)sc(C)c1-c1ccc(Cl)cc1Cl 1355715868 DPZSCSJHWBVEFZ-UHFFFAOYSA-N 440.308 4.508 10 10 IJCE Brc1cc(CN2CCC(Nc3ccccn3)CC2)ccc1N1CCCCC1 1474711886 DLEUNQDJFMQPEX-UHFFFAOYSA-N 429.406 4.911 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1O 1620414045 OLOHHFMDRADQMT-SFHVURJKSA-N 434.552 4.593 10 10 IJCE COc1cc(Cl)c(C)cc1NC(=O)CNCc1cc(Cl)cc(Br)c1O 1860721103 GVGFEWRRUACREF-UHFFFAOYSA-N 448.144 4.507 10 10 IJCE COC(=O)c1c(NC(=O)c2cscn2)sc(C)c1-c1ccc(Br)cc1 1866054395 SQRWTYJALMNRLL-UHFFFAOYSA-N 437.340 4.981 10 10 IJCE CCN(c1ccc(C=CC(=O)O)cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 1915041303 LDHDEFHPQBBIJX-LJQANCHMSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)Nc1ncc(CNCc2cc(Cl)cc(Br)c2O)s1 1962850191 OOYZEKJDZKPGRX-UHFFFAOYSA-N 448.770 4.901 10 10 IJCE CN1CCCc2cc([C@@H](N)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044757312 WUNPBRRAQXVPBJ-GOTSBHOMSA-N 439.600 4.569 10 10 IJCE CC[C@H](N[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2098557116 NLTVZDFIXLWOHF-VBQJREDUSA-N 427.383 4.841 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2188882861 FTYJNVQBZMGNAA-LLBVYWAGSA-N 428.418 4.830 10 10 IJCE CCN(Cc1ccccc1)C(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2295916660 XJXFEKMNUIWWDG-UHFFFAOYSA-N 445.009 4.980 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc2c1C(=O)c1ccccc1C2=O 2297453034 KEYZWJXCYQYBCG-UHFFFAOYSA-N 441.874 4.834 10 10 IJCE O=C(O)CCCN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S 2314433431 NCZIPQVLNGMXAC-NRFANRHFSA-N 437.542 4.813 10 10 IJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(C2CC(C)(C)NC(C)(C)C2)C1=O 2323789940 MIXINWJEPQMYRZ-UHFFFAOYSA-N 434.656 4.523 10 10 IJCE CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332107027 HCRAVLMRXIDJOF-UHFFFAOYSA-N 429.314 4.745 10 10 IJCE CC[C@@H](NC[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2358211613 GHPFHVNHMGJXRO-OXXUSNJHSA-N 439.394 4.841 10 10 IJCE CCOC(=O)Cc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 9228655 VZHWQNTXPMGBQI-UHFFFAOYSA-N 435.524 4.530 10 10 IJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1 14475730 FIWYGBZAJQNJPI-ZJNRKIDTSA-N 434.233 4.732 10 10 IJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1 14550243 ZSIOTUAGFWGCPJ-FBLLAGFSSA-N 438.593 4.942 10 10 IJCE C[N+](C)(C)CCSc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 31489834 YINUWQCENDBEJX-UHFFFAOYSA-O 432.569 4.586 10 10 IJCE CN(C)c1ccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 226772998 RDWAEWFPYHPZTI-SANMLTNESA-N 430.504 4.591 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)C12CCCC2 701093050 LNTLOQLIKJAKLN-KRWDZBQOSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708090656 QRBKVAOMRKFLJL-AWEZNQCLSA-N 433.774 4.686 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)CC1 717618549 CHQQMHRQTFFQPX-CSKARUKUSA-N 429.358 4.648 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)c1O 1191861728 LTWQYXOYYVWKEA-UHFFFAOYSA-N 429.923 4.852 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccc(Br)nc1 1308675484 CHNXVAPPIAVJEM-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE CC(=O)N(CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)Cc1ccccc1 1459584457 PTXBHMTZUMKLID-LJQANCHMSA-N 442.003 4.631 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc(O)c(C(F)(F)F)c2)cc1 1633066529 PSFCRGZMXFUWRT-UHFFFAOYSA-N 445.441 4.728 10 10 IJCE Brc1cc(CNc2ccn(Cc3ccncc3)n2)ccc1N1CCCCC1 1657534591 DHURTMUVQKCERR-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nccs2)sc(C)c1-c1ccc(Cl)cc1 1860764774 GEGQVCVGGOQRBN-UHFFFAOYSA-N 449.941 4.587 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCC(C)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867971322 DTOIIZRLEXTCCT-UHFFFAOYSA-N 443.595 4.715 10 10 IJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873169321 JWWGINOUSNJICN-UHFFFAOYSA-N 439.559 4.743 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 2296851861 ZIRHMKUIXFBOEO-UHFFFAOYSA-N 427.243 4.920 10 10 IJCE Cc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 2314831378 JQTYWMWZLOFNLN-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2329003427 LCHMSVCZNKUUPP-ISWURRPUSA-N 425.367 4.593 10 10 IJCE CCN(Cc1ccccc1)c1ccc(C=C2C(=O)N(C)N=C2c2ccc(OC)cc2)cc1 2332139863 AYVYIJYVGFPZEI-UHFFFAOYSA-N 425.532 4.981 10 10 IJCE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C)c(Br)c1O 2352681902 XLXUVSFHWXVHEQ-HOCLYGCPSA-N 427.383 4.588 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 9506773 MUUPGXALGNQZTE-UHFFFAOYSA-N 428.495 4.617 10 10 IJCE CCOCCOc1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 13641617 HRPQZWBYLPQOAP-IXFSTUDKSA-N 425.525 4.954 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccccc2)SC1=S 15046399 SBENRAHFQPQPLM-COOUDCDJSA-N 436.480 4.934 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccccc3)C2=O)cc1 89262545 LMIQSQRUPIIPNJ-OQKWZONESA-N 442.471 4.960 10 10 IJCE CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)c1 729110430 HDMFYLIQTYEQGS-UHFFFAOYSA-N 426.441 4.539 10 10 IJCE CN(C)c1ccc(CN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)C2CC2)cc1 1543501908 QRJIEAYDDJQDIQ-UHFFFAOYSA-N 429.442 4.830 10 10 IJCE Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 1633413326 ZYZPDRVHCIMDAC-UHFFFAOYSA-N 431.540 4.513 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 1860087902 ZFDRFPNCUBVILT-NTEUORMPSA-N 426.397 4.899 10 10 IJCE CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679208 AUGPLKGZRKJPTR-MHWRWJLKSA-N 427.844 4.606 10 10 IJCE COC(=O)c1c(NC(=O)CCCCCN)sc(C)c1-c1ccc(Br)cc1 1865955314 LSTDQHJLLSDSJN-UHFFFAOYSA-N 439.375 4.730 10 10 IJCE CCC[C@H](N)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866017287 JAELCJXJFDKGQL-ZDUSSCGKSA-N 439.375 4.593 10 10 IJCE CCCN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1942390889 MUMARGXCYWGTIQ-YFXJRYMSSA-N 428.573 4.932 10 10 IJCE O=C(O)C[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951963045 PVWNOLMJTRRLFU-QGZVFWFLSA-N 447.487 4.585 10 10 IJCE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985101131 OELOOPCVHXHPMQ-YGKZAACZSA-N 447.539 4.851 10 10 IJCE CC1(C)CC[C@H](NCc2ccc(Br)cc2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155357713 NMMGMDJBNKSOHM-RDJZCZTQSA-N 441.410 4.964 10 10 IJCE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc(C(=O)O)ccc1C 2297316894 FQJWFHDXOKXBNT-UHFFFAOYSA-N 442.313 4.791 10 10 IJCE Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 2313576041 ZJQJKUKAWMCKSO-UHFFFAOYSA-N 430.316 4.614 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)ccc1O 2321681350 MKGDCSWDPIPZDK-UHFFFAOYSA-N 425.409 4.515 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 20704801 XXIHIYARXAXGGF-YVHKJVDXSA-N 439.899 4.547 10 10 IJCE CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)S1 96624582 AIPTYFQTDQYPCI-PXNMLYILSA-N 439.295 4.818 10 10 IJCE C[C@H](Nc1ccc(I)cc1Br)c1c(O)cccc1O 311610375 DVUJQWLQPAXHIT-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2cc(Br)ccc2I)c1 312783911 ONTRFBJWVAOARE-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CN(C)c1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526506184 LJJFXACDMVAEIM-QFIPXVFZSA-N 436.895 4.874 10 10 IJCE C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1618254181 YCPZDRORPNONCH-UZOYXQLSSA-N 441.547 4.677 10 10 IJCE O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180879 WIEPSBNMZFLXGM-OAQYLSRUSA-N 426.497 4.943 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cccc(F)c1O 1952828551 BQLJEGCENYTBHQ-REWPJTCUSA-N 447.462 4.928 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](O)c1ccc(N2CCCCC2)cc1 2044734072 RYDUXOWHJDLHJT-ZEQRLZLVSA-N 440.584 4.820 10 10 IJCE CC(C)N1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296537571 YBDZTKQVSPMNBY-UHFFFAOYSA-N 428.966 4.867 10 10 IJCE Cc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314827780 MGESTSXHGUHTLM-UHFFFAOYSA-N 432.954 4.584 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1Br 2352946551 AQGISYRTWFFNDY-IIAWOOMASA-N 427.383 4.587 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c(O)c1Br 2380799085 VUJYAXCVOJVYKN-CRAIPNDOSA-N 441.410 4.977 10 10 IJCE COc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21 14546049 NHJNLFGLHGVUEZ-WZOHSFFVSA-N 438.593 4.942 10 10 IJCE Cc1cc(-c2ccc(C=C3C(=O)OC(C)(c4ccccc4)OC3=O)o2)cc([N+](=O)[O-])c1C 59336934 CRUKDLYIZKYZGR-UHFFFAOYSA-N 433.416 4.828 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1ccc(F)cc1 210739385 IUOSFQBXPYRWFB-XMHGGMMESA-N 444.553 4.932 10 10 IJCE CC[C@]1(CNCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 706821291 BEJNKVJMLCZRCP-HXUWFJFHSA-N 427.383 4.672 10 10 IJCE O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1)C1CCCC1 779620887 WTHAGKQGOKFHGR-QFIPXVFZSA-N 435.616 4.908 10 10 IJCE Cc1cc(CC(=O)N(Cc2nc(O)c3ccccc3n2)C(C)C)c(C)n1-c1ccccc1 1352203184 SWDIWCOYKOHGOD-UHFFFAOYSA-N 428.536 4.723 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865679077 TTYGXZVGNMYCQK-OEAKJJBVSA-N 446.478 4.682 10 10 IJCE CCc1sc(NC(=O)[C@@](C)(N)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1866112943 WLOIJAXONSXUGU-IBGZPJMESA-N 439.375 4.593 10 10 IJCE CC[C@@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OCc2ccccc2)C1 2027849286 MNJPXOAZERLQNH-JOCHJYFZSA-N 447.373 4.826 10 10 IJCE Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CCCC2)cc1I 2070048561 KVTUOGTYCDPLSP-UHFFFAOYSA-N 436.215 4.918 10 10 IJCE Cc1ccc(CN[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CCC3)c(O)c1Br 2381130304 WTGMFBGDQGISOR-KKSFZXQISA-N 439.394 4.875 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479728 YHRWLHWQJVJCJD-SWYRRKHMSA-N 449.595 4.602 10 10 IJCE Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)cc(C)c1Br 59182207 RPPHEJLWMIJAEF-CXUHLZMHSA-N 446.370 4.570 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/C(=O)O)cc2Br)C1 323430104 WEVKBYUUPNDENY-SYJIQKIWSA-N 429.358 4.505 10 10 IJCE CCC[C@]1(CNCc2ccc(Br)cc2O)CCCN1C(=O)OC(C)(C)C 691391328 KGTLHPVVUVLJJP-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1NC(=O)Nc1ccccc1 741184846 MMQGDWZIKCIFFD-UHFFFAOYSA-N 430.508 4.728 10 10 IJCE CC(C)(C)OC(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 775353637 BDCDUULHBVMPHR-SFHVURJKSA-N 426.513 4.561 10 10 IJCE Cc1ccc(/C=C\C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cn1 799381663 LDNUVHKVXOJGTC-DAXSKMNVSA-N 431.721 4.776 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)c(O)n3)cc2Cl)C1 1639533172 DJGZFWPKDLTWIX-LBPRGKRZSA-N 427.854 4.626 10 10 IJCE O=C(N[C@H](C(=O)O)c1ccc(N2CCCC2)cc1)OCC1c2ccccc2-c2ccccc21 1951391147 OMNROAJCXOEBLL-VWLOTQADSA-N 442.515 4.951 10 10 IJCE Cc1ccc(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c(O)c1 2079720334 LBEJHNGFPXEGJP-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE CC(C)[C@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2290023509 JXURDHCJADPFSY-FQEVSTJZSA-N 445.373 4.809 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2294134134 UYTQSECKYBBFOO-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE CCc1ccc(N[C@H]2NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 2297506327 BNQNNPJGZQUDEN-VWLOTQADSA-N 447.560 4.954 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1[N+](=O)[O-] 2321630807 UAYAYZFEHNPSJP-UHFFFAOYSA-N 430.507 4.796 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC 2332125788 QGUVSNDOAFDVGD-UHFFFAOYSA-N 447.304 4.797 10 10 IJCE CC[C@]1(CNCc2ccc(C)c(Br)c2O)CCCN1C(=O)OC(C)(C)C 2352952900 QMNJSKMPXCKHSZ-HXUWFJFHSA-N 427.383 4.732 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380812617 XLAHYYWSIIAOGJ-IIBYNOLFSA-N 439.394 4.732 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 33409240 WVLLJGLRJOGURB-MOSHPQCFSA-N 446.488 4.674 10 10 IJCE Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 59858751 LOWCVOQRQYASHZ-NDENLUEZSA-N 434.883 4.708 10 10 IJCE CCCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)cc1OCC 59861490 NPCJUWZXOJTKKT-XMHGGMMESA-N 438.480 4.780 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S 206862331 RGEGXJIDNCKGQV-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526333733 NOIOCNJRGOMIKS-XMMPIXPASA-N 445.494 4.907 10 10 IJCE Oc1c(F)cc(F)cc1CNc1ccc(I)c(Br)c1 708420368 IQUKKDFUNIRSNP-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CCN(C(=O)/C=C\c1ccc(C)nc1)c1cccc(NC(=O)/C=C\c2ccc(C)nc2)c1 754150121 YCFXFMLGKPTRSS-DZDAAMPGSA-N 426.520 4.812 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@H]1Cc2ccccc21 803272660 AZDMUEVYCSHWJE-PWDRBQJJSA-N 429.588 4.613 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1O 1307790631 IAGAKAFLZGSCMR-UHFFFAOYSA-N 436.939 4.586 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1oc(CCC)nc1C 1705547956 VTNMSDIVJXJMEE-UHFFFAOYSA-N 442.567 4.719 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418608 QFJDICNZXKKORE-UHFFFAOYSA-N 448.526 4.881 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccn21 1873942154 QMSSJUHMFUDHAM-UHFFFAOYSA-N 434.373 4.986 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 1891486656 GVNMBEVYOWQMPT-VWPQPMDRSA-N 446.620 4.818 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NCc1cccc(Br)c1O 1924817541 KCQIQHMLRWPGRM-MAUKXSAKSA-N 439.394 4.718 10 10 IJCE CCN[C@H](c1ccccc1O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902423 IVVSMMQIUHWSHA-ZEQKJWHPSA-N 440.584 4.887 10 10 IJCE CC[C@H](NC[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2157528771 MLCGAEZOSOOQKA-JXFKEZNVSA-N 445.373 4.935 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2)c1cc(Br)ccc1O 2279110894 HJCDRHPVDDXDRE-FUHWJXTLSA-N 439.394 4.985 10 10 IJCE O=C1C(=Cc2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 2293279586 DPKSPQQUYUXLGF-UHFFFAOYSA-N 427.345 4.891 10 10 IJCE O=C1C(=CC=Cc2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 2296564558 MTBVXVAMYRQPPU-HXUWFJFHSA-N 449.601 4.593 10 10 IJCE O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1CCCn1ccnc1 2323840129 NZGCEUZNTVCLRQ-UHFFFAOYSA-N 435.574 4.754 10 10 IJCE CN(C)c1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 33459270 MOHDULJQCROWJQ-JCMHNJIXSA-N 448.504 4.509 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)c(Cl)c1 35640511 VKWCORGQPXYDKL-ZROIWOOFSA-N 427.334 4.816 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2 226839761 BRYDGEOORGKRBH-SWYRRKHMSA-N 446.572 4.740 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526404525 PKEJRCGFZUVVKN-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE NCc1cc(F)c(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715011357 UNYQYKJWQWGXLW-UTKZUKDTSA-N 432.381 4.538 10 10 IJCE O=C(COC(c1ccccc1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 735517852 FLTHRTSIVGQMQJ-DEOSSOPVSA-N 431.532 4.706 10 10 IJCE O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1)C1CCCC1 779618186 ARJCKNWNSCIFMU-AWEZNQCLSA-N 437.371 4.930 10 10 IJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 1084214648 ADAHEQNFFSOETQ-PDGQHHTCSA-N 430.551 4.816 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)cs2)c(C)c1 1859572391 FACBSEHDKZPJTM-UHFFFAOYSA-N 427.551 4.503 10 10 IJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cccc(Cl)c1 1862339518 CCUMTQBUWWCLFD-UHFFFAOYSA-N 438.959 4.585 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658557 LFEWMMCPNDAQRC-XSFVSMFZSA-N 434.879 4.897 10 10 IJCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C3(C)CC3)c2I)c1 2079745830 HEGCLZSAFJJFCC-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE CCc1ccc(NCc2c(O)cccc2Br)cc1I 2128671713 LRYLIZJAOZVUTQ-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE CC1(C)CC[C@@H](NCc2cccc(Br)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155359099 XHSVXGNPKHAVGE-NVXWUHKLSA-N 441.410 4.964 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1Br 2187751020 SNABEOABQHDKRN-UGKGYDQZSA-N 428.418 4.658 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@@H]2CCCC[C@@H]21 2240989881 MSWXBPHARZNKAA-WBAXXEDZSA-N 439.394 4.813 10 10 IJCE Cc1cccc(CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 2294049422 PYBJABUJNLOTBI-UHFFFAOYSA-N 428.536 4.561 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N2O1 2297347599 LWKYNGHPVNJQAC-UHFFFAOYSA-N 431.492 4.602 10 10 IJCE Cn1nc(C(F)(F)F)c(C=C2SC(=S)NC2=O)c1SCc1ccc(Cl)cc1 2297721700 CVYPRDPBCXSVBN-UHFFFAOYSA-N 449.932 4.873 10 10 IJCE CCCCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC 2314760567 LGTQSRGSPATSSB-UHFFFAOYSA-N 437.583 4.720 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933586 BTGIILKXWGXWEU-INIZCTEOSA-N 449.594 4.861 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1)c1cc(Br)ccc1O 2357460999 XGWZOJARCBYVJO-LMMKCTJWSA-N 439.394 4.983 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380811071 YVWITLNQCSNGKJ-IIBYNOLFSA-N 439.394 4.732 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OC(=O)c1cccs1 34689507 YFGHOQZKBVHJQP-NTEUORMPSA-N 439.967 4.850 10 10 IJCE O=C1N=C(O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1c1cccc(F)c1 38182087 SSRBXFCSSGVZLR-UUASQNMZSA-N 428.217 4.576 10 10 IJCE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(SCc4ccccc4)o3)C(=N)N12 96482034 MWLUXFZYEZGSMH-NIIVYLOLSA-N 428.564 4.902 10 10 IJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)cc1F 102837594 CHLAWULNOXTTLD-WOJGMQOQSA-N 425.510 4.566 10 10 IJCE CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(NC(=O)/C=C/c2cncc(C)c2)cc1 772144564 YCUWFIAKKPSMJS-MCSXFCTQSA-N 426.520 4.812 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1C 1084109204 LUZGGHQUGIFTFM-UUYOSTAYSA-N 431.467 4.516 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677312 CRABABPBJQPXHW-PXLXIMEGSA-N 428.488 4.855 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(CO)c2Br)C2(C)CC2)cc1C 2080036783 KLQISFPVHLIIPN-OAHLLOKOSA-N 433.268 4.869 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2168789356 LIFVJDBGQCDTOT-RTWAWAEBSA-N 428.418 4.517 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O 2296661353 OBQVQQBTUXRMGV-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 2296754018 QKPGVFIZIPUVRN-UHFFFAOYSA-N 426.563 4.575 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 2321613351 PJMHOVRLIXQHOO-UHFFFAOYSA-N 429.519 4.619 10 10 IJCE O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33441338 LBWYLCGRROVMTH-ZSOIEALJSA-N 439.287 4.902 10 10 IJCE CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O1 59596593 JJCKFGHDCFXRRL-UHFFFAOYSA-N 438.819 4.655 10 10 IJCE CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 69005053 MDWJYHRINBAXPU-UHFFFAOYSA-N 444.004 4.543 10 10 IJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 96458265 QYKZXYURCNJAKO-HTHQTCOQSA-N 431.304 4.675 10 10 IJCE COc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 109624633 BGJXUIDQRXNQKB-UHFFFAOYSA-N 435.471 4.530 10 10 IJCE C[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C[C@H]1n1ccnc1 759116029 DOMFAJIIVHOSBE-SXSPYAJSSA-N 442.523 4.514 10 10 IJCE CC(=O)c1c(C)cccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 782801734 CGWKPRIUYQRJCN-SFQUDFHCSA-N 444.603 4.879 10 10 IJCE Cc1sc(NC(=O)COCc2ccnc(O)c2)c(C(=O)OC(C)C)c1-c1ccccc1 1355206437 OLZFXZBVSMZNBY-UHFFFAOYSA-N 440.521 4.545 10 10 IJCE CC[C@@H](C)N(Cc1ccc(N2CCC(OC)CC2)cc1)Cc1nc(O)c2ccccc2n1 1459696638 VCHVLBWYLKKEIY-LJQANCHMSA-N 434.584 4.751 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c1O 1460678051 ZPGVJTUORXQWRW-UHFFFAOYSA-N 446.931 4.990 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 1860086964 RYSOGZCFYYRIDT-GZTJUZNOSA-N 428.491 4.566 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccccc2F)sc(C)c1-c1ccc(C)c(C)c1 1860749284 WKTPYFQIBGVYDS-UHFFFAOYSA-N 440.496 4.843 10 10 IJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C1CCC1 2079661296 UFEMZSGLCXUDIU-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CN(C(=O)OC(C)(C)C)c1ccc(CNCc2cc(Br)cc(F)c2O)cc1 2175705042 VNNSFCGVTCYBAQ-UHFFFAOYSA-N 439.325 4.955 10 10 IJCE COc1ccc(CNCc2cc(Br)ccc2O)cc1NC(=O)OC(C)(C)C 2284166364 ICZWVIPQBFZFIR-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CCCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21 2296714388 UDIUSPGAPZZRFP-UHFFFAOYSA-N 439.400 4.576 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2314770146 ZQEAOYFXXHRVBM-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE [N-]=[N+]=NCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349886274 MKLVKCSDLUXIPD-UHFFFAOYSA-N 435.107 4.576 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c(O)c1Br 2380810298 FYJNFJARFGNSLY-UAGQMJEPSA-N 439.394 4.731 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)SC2=S)cc1OC 40570621 RUWVPOYXMUEWTI-BKUYFWCQSA-N 438.574 4.937 10 10 IJCE COc1ccccc1/C=C1\C(=O)N(c2cc(C)c(C)cc2Br)C(=O)N=C1O 59860323 LVNKMVOIBMXZJT-UVTDQMKNSA-N 429.270 4.581 10 10 IJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 226837237 FIWYGBZAJQNJPI-FHSNZYRGSA-N 434.233 4.732 10 10 IJCE CC(C)NCc1ccc(N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1Br 323617935 MOJMETQYZLEMRP-IBGZPJMESA-N 430.434 4.905 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)CC1 708073286 NQYSLBYRKZVSKV-AWEZNQCLSA-N 433.774 4.687 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccc(F)cc2F)cc1 732634707 MXDCWWLRPUFEOW-UHFFFAOYSA-N 442.437 4.663 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C)c(C)c4)n4ccccc34)CC2)cc1 1858344611 DXOJGZNCPYUBCB-UHFFFAOYSA-N 440.547 4.589 10 10 IJCE Cc1ccc(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167101 RZXBDHOCDGOZGZ-UHFFFAOYSA-N 441.575 4.928 10 10 IJCE CCCN[C@@H](C)c1ccc(N(C)C[C@H](O)COCc2ccccc2)c(Br)c1 1916381813 LOYCREQRZHNOFK-PXNSSMCTSA-N 435.406 4.524 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079137630 OZEPXCRYJVKKAE-INIZCTEOSA-N 442.297 4.569 10 10 IJCE CC(C)c1nn(Cc2ccc(Cl)cc2O)c(I)c1C(F)F 2079730685 OFXWOKQOBNOSGR-UHFFFAOYSA-N 426.632 4.956 10 10 IJCE O=C1C(=Cc2cccc(Br)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 2294499010 FMDFHQSNLQHVHC-UHFFFAOYSA-N 434.336 4.579 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1I 2297511637 UIOBDWGEIRAPIU-UHFFFAOYSA-N 437.668 4.663 10 10 IJCE CCCCOc1cccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 2314767451 GXPWJFHBIZDPRP-LJQANCHMSA-N 427.547 4.893 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc(OC)c1OC 2332115112 RRUVZJQTEHLLDO-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1 14550240 ZSIOTUAGFWGCPJ-SLSDLSHTSA-N 438.593 4.942 10 10 IJCE N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3cccs3)=NN12 20238800 INKFVIKQOFEFSW-ILUQACKLSA-N 440.531 4.894 10 10 IJCE COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1cccc(Br)c1 40942093 KHLPKJOFUURDLM-CXUHLZMHSA-N 436.352 4.526 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1 103919978 DVMXQCPPAHJSMN-UDWIEESQSA-N 448.306 4.654 10 10 IJCE C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H](c2ccco2)C1 744384749 PUBJWNHDPRMQEV-KUHUBIRLSA-N 444.443 4.577 10 10 IJCE C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCCC2=O)cc1 765351002 MAYMDESRPUPENQ-QZTJIDSGSA-N 427.976 4.715 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 1860087701 OOEVWMGOZOBQEF-NTEUORMPSA-N 426.397 4.899 10 10 IJCE CC(C)c1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860708244 KSOFCYQKBNVKOL-UHFFFAOYSA-N 426.516 4.704 10 10 IJCE CN(C)c1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 1865654027 FTUYQTZAAOCTHS-UVTDQMKNSA-N 425.813 4.889 10 10 IJCE Cc1cccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952773904 BJLWTSJNZWBIQZ-GJZUVCINSA-N 429.472 4.539 10 10 IJCE CC1(C)C[C@@H](CNCc2c(O)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2115929878 YQEGIHXESXEHPC-AWEZNQCLSA-N 427.383 4.528 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=CC(Cl)=Cc3ccccc3)SC2=S)c1 2314538853 GULXHNWOXFSLNW-UHFFFAOYSA-N 445.905 4.612 10 10 IJCE CC[C@H](CCC(=O)N(C)Cc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2381126858 CIXYLTAGFURBBJ-OAHLLOKOSA-N 443.382 4.505 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 33417108 ZUROAIRZXKZXHE-WQRHYEAKSA-N 448.410 4.648 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4cccc(C)c4)c3)C(=O)N=C2S1 35074800 DXHSWUQJFBBPAI-NCNWTYLVSA-N 448.548 4.872 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 39859239 NWONGSCAVDSWJF-YBEGLDIGSA-N 433.352 4.813 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526296501 JKOAAUJBBWZYFL-XMMPIXPASA-N 430.504 4.827 10 10 IJCE CC(C)[C@H](CCNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 708180458 YKROFVNBSIRHPH-HNNXBMFYSA-N 435.790 4.837 10 10 IJCE O=C(NCCCSc1nccs1)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 758604881 HYYZFCQMKUUABO-UHFFFAOYSA-N 427.477 4.652 10 10 IJCE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)[C@@H]2C 800719212 IBPPXKDQPKKMQE-DLBZAZTESA-N 445.011 4.578 10 10 IJCE O=C(C=Cc1cnccn1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 2053603464 BMLKTVKJJSBCNP-UHFFFAOYSA-N 430.252 4.764 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C=O)c2I)c(O)c1 2078992709 RWMUGXDHUWIPOB-SFHVURJKSA-N 436.293 4.581 10 10 IJCE Cc1c(C(C)(C)C)nn(Cc2cccc(Br)c2O)c1I 2079817910 JTRSXFSNJYFWDQ-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE CC[C@H](N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104743775 NHEHMWMNKBTWPZ-RFUYNDQBSA-N 431.346 4.591 10 10 IJCE CNCc1ccc(N(C)[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2151262579 QBSKGDSAKCBYJH-WKCHPHFGSA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Br)cc(F)c2O)CC12CC2 2172008136 CAYVBRGAVBBZPQ-CYBMUJFWSA-N 443.357 4.563 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)c1 2180963626 PHZUCSASTFVVFG-GFCCVEGCSA-N 438.326 4.959 10 10 IJCE COc1cc(Br)c(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC 2297296658 YWTQOVJVLJPKGJ-UHFFFAOYSA-N 435.705 4.926 10 10 IJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)c1 2297462335 ZMNBVVLYRRPCRD-UHFFFAOYSA-N 437.304 4.682 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 2313683333 XRAIJODGSSDAQF-UHFFFAOYSA-N 445.494 4.658 10 10 IJCE CCc1ccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879760 DDPWAMJUUQMKKH-FQEVSTJZSA-N 426.607 4.762 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352932691 QCTDEMDTQFARGJ-GOEBONIOSA-N 427.383 4.636 10 10 IJCE CCCN1C(=O)/C(=C2/SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21 2509086 MQGFJPYREDCVNT-KDGRRTAISA-N 439.400 4.576 10 10 IJCE COc1ccccc1-n1cccc1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 32964458 AFUVGOXEVZGYMB-IMIHHMTGSA-N 433.537 4.685 10 10 IJCE O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1CCc1ccccc1 33313553 YFNWCHMOEUKUEY-RQZCQDPDSA-N 448.363 4.622 10 10 IJCE c1ccc(CN2C[C@@H](CNCc3ccc(N4CCCCC4)cc3)C3(CCOCC3)C2)cc1 815149216 DUAPXLQBOOMDFC-AREMUKBSSA-N 433.640 4.695 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873164526 GJAIXBNUIKXQHW-UHFFFAOYSA-N 431.511 4.513 10 10 IJCE C[C@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2115816515 CMSKRQBZNSNYQR-QWHCGFSZSA-N 447.801 4.933 10 10 IJCE CCCN[C@@H](c1ccc(I)c(Br)c1)c1ccccc1O 2146250949 SWIHMQYIWSEBAB-INIZCTEOSA-N 446.126 4.848 10 10 IJCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCCC3)c(Br)cc21 2152180610 LKIFZFJQQXTRJG-OAQYLSRUSA-N 428.374 4.859 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(NCc3ccc(Br)cc3O)cc2C1 2234129401 FAVVBLLANQTWAW-SFHVURJKSA-N 433.346 4.759 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 2293917295 VVHDVITVYMCUDV-UHFFFAOYSA-N 432.501 4.569 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC)c2)SC1=S 2314766525 AJPXIURVAZHSLD-IBGZPJMESA-N 427.547 4.591 10 10 IJCE COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071259 MMSMGEBPDAHJHK-SQJMNOBHSA-N 432.476 4.660 10 10 IJCE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 110675178 ABKJCOLVKHFXLH-SANMLTNESA-N 447.623 4.635 10 10 IJCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1OC 147858243 OKUJWMZBLLKGQY-UHFFFAOYSA-N 426.519 4.781 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 251377579 SHIVJBOUCJGQNX-GGWAELBDSA-N 425.598 4.656 10 10 IJCE CC[C@H](N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 311299810 DZDSFELHFJNCDS-RRQGHBQHSA-N 427.383 4.889 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)c1 526164418 KUNUOUDWZFKAHX-XMMPIXPASA-N 440.455 4.712 10 10 IJCE C/C(=C/C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1OC(F)F 1631607925 JXJMEJRYUOFKIP-WOBAJENOSA-N 444.522 4.965 10 10 IJCE CC(=O)N1CCN(Cc2ccc(NCc3ccc(N(C)Cc4cccs4)cc3)cc2)CC1 1662063759 KZTGEUVTENAPDG-UHFFFAOYSA-N 448.636 4.661 10 10 IJCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cc([N+](=O)[O-])ccc4C)C3=O)c2c1 1860084191 OXOBBDYMKIXIBE-CNHKJKLMSA-N 425.491 4.799 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677513 MZCNDLRMKRPEOT-KGENOOAVSA-N 446.478 4.682 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN3c3ccc(Cl)cc3)cccc21 1866146232 XQSGNUIUSNONSX-NRFANRHFSA-N 430.891 4.723 10 10 IJCE CC(C)(CCCNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 2058952644 PEXXFLDACVTTLJ-UHFFFAOYSA-N 435.790 4.981 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2cccc(Br)c2O)C1 2100260535 ZOJQMPZOCNKUQT-GDBMZVCRSA-N 427.383 4.718 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1C 2293250254 AOPDETDJYAUNFQ-UHFFFAOYSA-N 429.563 4.683 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Br)c1O 2329597135 JQUYPMRECXTAKH-GREKMHCPSA-N 445.785 4.590 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139605 YJWJFOBVQKGQQO-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccccc2O)cc1 2332140557 PMUVPKGKFDAHGS-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE CCOCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 13641614 HRPQZWBYLPQOAP-YZZKKUAISA-N 425.525 4.954 10 10 IJCE CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@@H]21 226694489 XRCZNYLOLYGZOV-LGIZFMHMSA-N 434.536 4.975 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526320155 KMALOVDMHWLVBB-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 708156890 KDNSLLNHCVZQRL-UONOGXRCSA-N 433.774 4.734 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)ccc1O 1860085438 LIDFNDMPZWGQBT-MKMNVTDBSA-N 426.302 4.803 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cccc(OC(F)(F)F)c2)C1=O 1860087733 QOJDVHLHFDLQSZ-XNTDXEJSSA-N 435.452 4.947 10 10 IJCE Oc1cccc(Br)c1CNCc1c(Br)cccc1Br 2094141728 MZUATTWNAGNTRD-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 2293485620 XZOKBYBJEHKFAE-UHFFFAOYSA-N 448.906 4.697 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 2293535025 ITLPRBJYZZCIBW-UHFFFAOYSA-N 436.352 4.526 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 2294216943 RSEFFXWYVMORTH-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 2294253420 OZEYBNDGKWKXOM-OAHLLOKOSA-N 442.968 4.965 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2323888868 NOYMILUVIMLXIU-UHFFFAOYSA-N 425.453 4.821 10 10 IJCE CC[C@H]1CC[C@H](NCc2ccc(C)c(Br)c2O)CN1C(=O)OC(C)(C)C 2352945047 PZJBVJQGBCOQLG-HOTGVXAUSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352947297 RCMVYLOLUXLAJD-ZBFHGGJFSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CNC[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)c(O)c1Br 2381132133 WUJYQIYCVYPBEB-INIZCTEOSA-N 441.410 4.978 10 10 IJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)o1 58833394 QHOKYWCCLUQJNZ-CPNJWEJPSA-N 431.404 4.924 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2cc(Br)ccc2I)c1 312783908 ONTRFBJWVAOARE-SECBINFHSA-N 448.098 4.941 10 10 IJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 727402680 JZDSDMYHCZVEGV-UHFFFAOYSA-N 439.943 4.684 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3c(O)nc(C)nc3c2)cc1 1144711706 UPRIAAOPWZUWJB-UHFFFAOYSA-N 442.519 4.565 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2Cl)sc(C)c1-c1ccccc1 1860747578 OUMGCZDOFKDUMQ-UHFFFAOYSA-N 443.912 4.526 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c2nccn2C)cc1 1865952724 BXMICSIWQDDXQZ-UIOOFZCWSA-N 438.575 4.718 10 10 IJCE CN(Cc1ccc(CNCc2ccc(Br)cc2O)cc1)C(=O)OC(C)(C)C 1912984643 DVOAYMPANKVHSE-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE CN(Cc1cccc(CNCc2ccc(Br)cc2O)c1)C(=O)OC(C)(C)C 1913001988 QTQMRAJEVKUNRN-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE CCOc1cccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1951853327 FWKDIKOWESUELD-AREMUKBSSA-N 447.487 4.629 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 1962885149 UMWMQXNLIUELNM-SWLSCSKDSA-N 447.801 4.981 10 10 IJCE CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1968857929 VBESIGVKXZGHBF-UHFFFAOYSA-N 435.318 4.774 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2O)C1 2100267600 XREUJCBAZQLTSE-WMLDXEAASA-N 427.383 4.718 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(Br)c1 2186710961 HAIVKJWYKYZQNU-AUUYWEPGSA-N 443.307 4.756 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(NCc3ccc(Br)cc3O)cc2C1 2234129400 FAVVBLLANQTWAW-GOSISDBHSA-N 433.346 4.759 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@@H]2CCCC[C@@H]21 2241008543 MSWXBPHARZNKAA-WBAXXEDZSA-N 439.394 4.813 10 10 IJCE O=C1C(=Cc2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1c1ccc(O)cc1 2296601934 YUZXPQGCSAOBDA-UHFFFAOYSA-N 442.905 4.728 10 10 IJCE COc1cc(C=C2SC(=S)N(CNc3c(C)cccc3C)C2=O)cc(OC)c1OC 2296654285 HOPLOKRADHURLV-UHFFFAOYSA-N 444.578 4.600 10 10 IJCE CN(C)c1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2386987 XHAJHJPVWVFPNP-XMMPIXPASA-N 430.504 4.807 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 13639361 OXTIJWWYIAXWHY-IPJJNNNSSA-N 439.353 4.748 10 10 IJCE COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 59198246 UBINBFDGIPSPAS-ZROIWOOFSA-N 435.661 4.618 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)c2C)nc1 96563980 QUDGJZBGZNRWDW-YBFXNURJSA-N 434.496 4.608 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(/C=C2\C(=O)N(c3ccccc3)N[C@@H]2C)c1 210118670 ARUIUQLJGJFWIL-ORCDWYFDSA-N 448.526 4.816 10 10 IJCE COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O 210711713 DCZRMSNGDXOSGM-XMHGGMMESA-N 426.563 4.624 10 10 IJCE COc1ccc(N2CCC(NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 766193560 CTGJHJDSXBOFFA-HSZRJFAPSA-N 425.573 4.520 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)cc(Br)c1O 1865667338 RLIGHVMCZLZXLC-CXUHLZMHSA-N 447.304 4.884 10 10 IJCE Cc1ccc(C)c(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873871308 HLFAFWOTIKJBHI-UHFFFAOYSA-N 448.526 4.830 10 10 IJCE Cc1ccc(O)c(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c1 2079715773 MEHRFMMTVRDBKY-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(Br)c2O)CC12CCCC2 2098975401 IKJODIFFUWRAFW-HNNXBMFYSA-N 425.367 4.567 10 10 IJCE O=C(Oc1ccc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1)c1ccco1 2296727141 XMJGNXCEKJTHKW-UHFFFAOYSA-N 435.526 4.943 10 10 IJCE CCCOc1ccccc1C=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2296758238 NICMTDIHQWHDMX-UHFFFAOYSA-N 441.984 4.921 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Cl 2313558251 WPBMRASTAMGBEX-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CN1/C(=C\C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)C(C)(C)c2ccccc21 13286168 JNKCSQFMRXPTGK-MZTKBTAGSA-N 436.558 4.945 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21 14467842 GLGDCFZKBKRYGZ-AFBRZQFHSA-N 433.335 4.902 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473339 QBXDMJRXDFKHST-ULYRPOKDSA-N 441.915 4.841 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479329 ISBMEVDIAPNSRZ-GLDPYIMESA-N 442.581 4.561 10 10 IJCE Cc1ccc(C)n1-c1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)c1 223382276 LLDQUYYQLRTOMN-DEOSSOPVSA-N 426.520 4.705 10 10 IJCE CC(C)(C)OC(=O)NCCCCCCNCc1cc(Cl)cc(Br)c1O 708169297 FOGLQAGOMBTKPL-UHFFFAOYSA-N 435.790 4.983 10 10 IJCE Cc1cc(Br)c(O)c(CNCc2ccc(OCCOc3ccccc3)nc2)c1 781625694 CZYGLFQGXVOTCG-UHFFFAOYSA-N 443.341 4.606 10 10 IJCE Brc1cc(CNCc2ccc3c(c2)OCCCO3)ccc1N1CCCCC1 1656301964 MUUSDYSYYHIZPX-UHFFFAOYSA-N 431.374 4.891 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cccc(Cl)c4)n4ccccc34)CC2)cc1 1858355212 ZAQIXCVKMBTRPS-UHFFFAOYSA-N 446.938 4.626 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccccc1O 1901485446 KPHOCMWDCOYZJV-OSPHWJPCSA-N 444.531 4.887 10 10 IJCE CC(C)(C)OC(=O)NCCCN(Cc1ccc(N)cc1)c1cccc(Br)c1 2162939089 KWRHKCBRZMAYPO-UHFFFAOYSA-N 434.378 4.953 10 10 IJCE CCNCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163334982 PFJWVGSRJIZZPV-QHCPKHFHSA-N 428.418 4.661 10 10 IJCE N=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468381 JJNBGHMECDEBIC-UHFFFAOYSA-N 433.880 4.662 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(I)cc1 2297511333 BYQNTHUNTFCGHS-UHFFFAOYSA-N 437.668 4.663 10 10 IJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 2314522529 NEKMRCZLSUQMMU-UHFFFAOYSA-N 449.557 4.532 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2314650403 DWYCOQIBWGDNTB-UHFFFAOYSA-N 427.425 4.641 10 10 IJCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2380794923 GDRIFBBQYGGZEA-HNNXBMFYSA-N 441.410 4.978 10 10 IJCE Cc1ccc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1Br 2381142836 NCIMWICVADNXPK-SJORKVTESA-N 443.307 4.616 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc2c(c1)OCO2 17098966 SWMXUGINIUVPEQ-KGENOOAVSA-N 434.521 4.592 10 10 IJCE Oc1cccc2c1[C@@H](Nc1ccc(I)c(Br)c1)CC2 311795237 AVQXMXNXHJILRS-ZDUSSCGKSA-N 430.083 4.859 10 10 IJCE CC(C)NCc1ccc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1Br 323617936 MOJMETQYZLEMRP-LJQANCHMSA-N 430.434 4.905 10 10 IJCE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)cc2F)C[C@@H](C)O1 745649038 XNKTWGROCQJTGE-QLDGJZPUSA-N 429.536 4.715 10 10 IJCE Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)COCc4ccnc(O)c4)n3)c2C)cc1 1349601693 YRSHLMJWDZETMD-UHFFFAOYSA-N 448.548 4.782 10 10 IJCE Brc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)ccc1N1CCCCC1 1620698682 GSNPTIGFFUELEM-NRFANRHFSA-N 428.418 4.804 10 10 IJCE Brc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1N1CCCCC1 1656113540 CKQQWTRFNZUANI-UHFFFAOYSA-N 430.390 4.888 10 10 IJCE CCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871144324 HLRKOJXMRRBVSA-UHFFFAOYSA-N 435.524 4.556 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NCc2cc(Cl)cc(Br)c2O)C1 1918923800 RQQYDLQNPYYGNR-HNNXBMFYSA-N 445.785 4.687 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280267038 PECDWAIZULAPIM-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CC(C)Oc1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2293680462 ISRUMVYLGYNCEH-UHFFFAOYSA-N 441.984 4.920 10 10 IJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1CCc1ccccc1 2297349775 YFNWCHMOEUKUEY-UHFFFAOYSA-N 448.363 4.622 10 10 IJCE Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1C 2297351140 NOSGFBSSLRLKCA-UHFFFAOYSA-N 437.839 4.586 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c(C)c1 2297470692 SEECOHGPIPYILP-UHFFFAOYSA-N 445.470 4.892 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)c1 2321717852 VEFQCLKMFWJILE-UHFFFAOYSA-N 443.546 4.764 10 10 IJCE Cc1ccc(CN[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1Br 2352680972 QLFSNJRPUWUJRH-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2352681524 WJASXVKWZOZROH-AWEZNQCLSA-N 427.383 4.588 10 10 IJCE CC[n+]1c(/C=C2/Sc3ccc(C)cc3N2CCCS(=O)(=O)O)ccc2ccccc21 3656565 JQYKFSNSQTUNIY-UHFFFAOYSA-O 441.598 4.644 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)c(OC)c1 20071017 ZFCBJIGQOCQXBZ-NLFFAJNJSA-N 432.476 4.660 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)N(c3ccccc3)C2=S)cc1 20176497 LUDRUBJAQSVJNU-HKWRFOASSA-N 434.542 4.895 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3ccc(SCc4cccnc4)cc3)CC2)cc1 108431948 FZWWXJJLTHDPEH-UHFFFAOYSA-N 433.577 4.735 10 10 IJCE CC[C@H](C)NC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699810 XXLMDKMIFUPMTE-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 708155529 BQRPHRFHBAMRJW-XHDPSFHLSA-N 433.774 4.543 10 10 IJCE Cc1cncc(/C=C/C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C/c3cncc(C)c3)c2)c1 772169939 OGYPDARBIGNCEZ-AMMQDNIMSA-N 440.547 4.754 10 10 IJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Cl 1084411578 WPBMRASTAMGBEX-PDGQHHTCSA-N 437.858 4.553 10 10 IJCE CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(C)n(-c3ccc(Br)cn3)c1C)C2 1626324471 IJMCGUOZQJIDLY-UHFFFAOYSA-N 438.325 4.610 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cccc(Br)c1O 1634724516 CYECODNWWXZMSG-LUAWRHEFSA-N 430.220 4.773 10 10 IJCE Oc1cccc(F)c1Cn1nc(C2CCC2)c(C2CCC2)c1I 2079836106 VLBUMYIKHJYZLO-UHFFFAOYSA-N 426.273 4.916 10 10 IJCE CN(c1ccc(CNC2CCC2)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 2240038284 RVHARUDLSVPDJK-JOCHJYFZSA-N 428.418 4.802 10 10 IJCE CCCCN1C(=O)C(=CNc2ccc(Cl)cc2C)C(=O)N(CCc2ccccc2)C1=O 2297454714 DPADGJBIBBUFMJ-UHFFFAOYSA-N 439.943 4.778 10 10 IJCE CCN(CC)c1ccc(C=C2NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2297462056 XKANEVFFNLEUFD-UHFFFAOYSA-N 430.371 4.558 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2297554504 AYZMTSGJIDGETP-GOSISDBHSA-N 427.547 4.638 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 2321646900 AWLJVUQNRZCQQF-UHFFFAOYSA-N 430.898 4.610 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 2321683224 GOPXDERNIHBKTP-UHFFFAOYSA-N 439.606 4.893 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccc(N(C)C)cc3)C2=O)cc1C 33313670 RBMUAVZMRAMQLF-KIMXVIAKSA-N 435.549 4.601 10 10 IJCE Oc1cccc(Br)c1CNCc1cc(Br)ccc1Br 1662246863 NELJPRMONPRYON-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 1860085950 XVFCYXALLQLJQJ-CPNJWEJPSA-N 443.546 4.978 10 10 IJCE Cc1ccc2nc(C(C)C)cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c2c1 1866272813 PZVPCRZBGHQTNM-RUZDIDTESA-N 441.579 4.986 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccccc5C)[nH]c4c3)CC2)cc1 1873506366 FGRJONIRHDWHKJ-UHFFFAOYSA-N 426.520 4.509 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NCc1c(O)cccc1Br 1924834059 ARNNLUDANVXTTJ-KSSFIOAISA-N 439.394 4.718 10 10 IJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Cl)c1 2297314598 WRKWWSRRNWASRE-UHFFFAOYSA-N 439.924 4.883 10 10 IJCE CCCOc1c(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cccc1OC 2332118490 QXWCPXLFNCNPQC-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE Cc1ccc(CNC(=O)c2cnn3c(O)cc(CSc4ccc(Cl)cc4)nc23)cc1 3035707 HLGUIBDVHVBCIR-UHFFFAOYSA-N 438.940 4.619 10 10 IJCE CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 13058357 CYDCCJCKXKQQPE-UYRXBGFRSA-N 443.546 4.978 10 10 IJCE O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1N1CCOCC1 35519486 UWNJYNUQQKGSDX-YBEGLDIGSA-N 441.361 4.702 10 10 IJCE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2F)C(=O)Nc2cccc(Cl)c2)cc1 103400112 LVVGRTZVNJEKDL-HYARGMPZSA-N 437.902 4.955 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226852974 ZWGDWFRNUNFMOK-YVHKJVDXSA-N 441.915 4.841 10 10 IJCE CC(C)CNCc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 313111156 ZJFXYPACLOWHQE-OAQYLSRUSA-N 430.434 4.905 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 380692887 MFOYJHNJOUFROX-UIFIKXQLSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708073102 KRDSGOCFTNEGGE-LBPRGKRZSA-N 433.774 4.545 10 10 IJCE Cc1cncc(/C=C\C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C\c3cncc(C)c3)c2)c1 772169941 OGYPDARBIGNCEZ-DEFDFUCDSA-N 440.547 4.754 10 10 IJCE Cc1cc(CC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 784687188 WAEGIGSQEDPBSI-KRWDZBQOSA-N 425.964 4.608 10 10 IJCE COc1ccc(N2N=C(C)/C(=C\Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 1084409608 SABXRZHMYBTHHZ-OEAKJJBVSA-N 429.524 4.833 10 10 IJCE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)c(Br)c1 1641252580 MOOKJYLKVKSZQF-UHFFFAOYSA-N 445.288 4.855 10 10 IJCE Cc1c(OC(c2ccccc2)c2ccccc2)c(=O)ccn1CCOc1ccc(N)cc1 1857919479 IWGRLNZKGILKJM-UHFFFAOYSA-N 426.516 4.986 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OC 1858590886 MYJBSVKUBHDFCE-XDHOZWIPSA-N 443.546 4.584 10 10 IJCE CC[C@H](C)N(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917879 YMGNRHRJFIQYNG-INIZCTEOSA-N 442.471 4.744 10 10 IJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 1865675567 OEZZYUWDGCCRKW-CJLVFECKSA-N 449.551 4.529 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc3cnccc3c2)N2CCCCC2)cc1 1866162105 ZPFRBYMNZBBMFZ-GYAQKSNVSA-N 428.580 4.657 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873164408 AFMXMIFEZHFQKT-UHFFFAOYSA-N 441.575 4.806 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)C)c(N)c2I)cc1C 2079972501 VTYVZZZPHXIZGF-QGZVFWFLSA-N 425.314 4.515 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4)C3=O)o2)c1 2297561127 LZMAYYUNXXESFA-UHFFFAOYSA-N 449.440 4.580 10 10 IJCE CC(C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 2314764441 CGWDPOAWCTVKHT-UHFFFAOYSA-N 432.954 4.673 10 10 IJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 2314931776 QOVZCVDLSXZHFA-UHFFFAOYSA-N 437.901 4.738 10 10 IJCE COC(=O)c1c(NC(=O)C=CC(=O)NCc2ccccc2)sc(C)c1-c1ccc(C)cc1 2321560510 JKUHUTVTVUNRKB-UHFFFAOYSA-N 448.544 4.630 10 10 IJCE CC1(C)CC(N2C(=O)C(=Cc3ccccc3Br)SC2=S)CC(C)(C)N1 2323790011 VLRLJKFVBYSBJX-UHFFFAOYSA-N 439.444 4.960 10 10 IJCE COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 9526956 XUWNSCOIFCRZBP-XMMPIXPASA-N 449.982 4.948 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15039786 IQBWKWQJOMNMPV-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S 102622157 MMSHKFXRRZZVFT-GZTJUZNOSA-N 434.571 4.980 10 10 IJCE CN(C)c1ccc(CNc2ccc(I)cc2Br)cc1 381818573 NFKTZQOACJAXTR-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE CC[C@H](NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1cc(Br)ccc1O 398840243 OLVAVMRUNNQWBM-DOTOQJQBSA-N 431.371 4.676 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)ccc2O)Cc2ccccc21 404484566 ZSLMXLSEPNDEBK-QGZVFWFLSA-N 433.346 4.611 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526231345 DMCBSOMQDWWSEN-DEOSSOPVSA-N 447.487 4.735 10 10 IJCE Cc1oc2c(CN3[C@H]4CC[C@H]3CC(O)C4)c(O)ccc2c(=O)c1-c1ccccc1Cl 742148722 CBPKXMYERXNBTD-GJZGRUSLSA-N 425.912 4.615 10 10 IJCE O=[N+]([O-])c1cccc(N=NN(/C=C/I)c2cccc([N+](=O)[O-])c2)c1 1084307290 KKVKTIODVCHLFX-NLECGFTDSA-N 439.169 4.915 10 10 IJCE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 1171723664 WPVLHLBHENQGCO-QGZVFWFLSA-N 444.531 4.887 10 10 IJCE CCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421512 BTYNEUCFSDBTLU-UHFFFAOYSA-N 444.491 4.604 10 10 IJCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1c(N)cccc1Cl 1994790870 GGKIGIIIVORWPC-UHFFFAOYSA-N 442.988 4.532 10 10 IJCE CN[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2029549855 OFXMHCSVFUWUED-JOCHJYFZSA-N 439.600 4.602 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080004924 HCQRLSNZMNIIMZ-KRWDZBQOSA-N 436.394 5.000 10 10 IJCE C[C@@H]1C[C@@H](N(C)c2ccc(CNC3CC3)c(Br)c2)CN1Cc1ccccc1 2154821742 DHLGPEAWJNIZKX-VGOFRKELSA-N 428.418 4.800 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163306360 JSSVTHZKXYEGDV-WZONZLPQSA-N 428.418 4.961 10 10 IJCE CCCCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)s1 2296880188 VEPUYJTWNUTUOJ-UHFFFAOYSA-N 446.623 4.501 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 2297296801 QDIJQQJVRCCOAE-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(c3ccco3)=NN12 2297357784 HOLAMPJJXISLAT-UHFFFAOYSA-N 446.463 4.665 10 10 IJCE O=C1N=C(N2CCCCC2)SC1=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2297453405 XVBFXAFESRJVHV-UHFFFAOYSA-N 437.952 4.713 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2314767489 HEBUYLGMSZBMJD-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE Cc1ccc(CN[C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352947295 RCMVYLOLUXLAJD-GOEBONIOSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CNC[C@@]23CC[C@H]2CCCN3C(=O)OC(C)(C)C)c(O)c1Br 2381128761 ZJGOMSIXLPANSD-IERDGZPVSA-N 439.394 4.732 10 10 IJCE Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 2915192 BQZSUPHEWNVWTL-CLJLJLNGSA-N 435.531 4.865 10 10 IJCE COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6674907 FCOGGEYVKGCVIC-SFQUDFHCSA-N 432.954 4.579 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N(CC)CC)cc2[C@@H]2C=CC[C@@H]21 14545432 VBOSYARCHHDTGT-YDIMBITNSA-N 426.582 4.942 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 33406125 JCTVUDASHGXKBS-XDHOZWIPSA-N 445.431 4.976 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708073099 KRDSGOCFTNEGGE-GFCCVEGCSA-N 433.774 4.545 10 10 IJCE CC[C@H](C(=O)N1CCC(NCc2cc(C)cc(Br)c2O)CC1)c1ccccc1 781632664 ZWRDUDUVPIJNQZ-FQEVSTJZSA-N 445.401 4.738 10 10 IJCE CCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163941 DAIRZWWPLVYGED-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(C3CC3)C2=O)cc1 1873422195 KRIFRFPEGFVFIN-UHFFFAOYSA-N 440.547 4.515 10 10 IJCE Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3F)cs2)ccc1Br 1891362329 DEBBFUJMMCMWIS-UHFFFAOYSA-N 445.310 4.960 10 10 IJCE CCN(CC)c1ccc([C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 2044726997 AFOBXVZLTFQZHN-XMMPIXPASA-N 441.616 4.593 10 10 IJCE CNCc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145265957 GMKKONPQQWLDJG-NZQKXSOJSA-N 428.418 4.659 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 2294623614 IBCCWAKXESZMEJ-UHFFFAOYSA-N 431.404 4.668 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 2297319115 PXKGRQKSJSIVJX-UHFFFAOYSA-N 437.498 4.913 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2313510735 KHITXOWKQJZVNG-UHFFFAOYSA-N 433.247 4.779 10 10 IJCE COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071257 MMSMGEBPDAHJHK-OFVILXPXSA-N 432.476 4.660 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 59514310 FRDPEMMNEWSXGB-FRKPEAEDSA-N 431.451 4.516 10 10 IJCE CCOc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)cc(Cl)c1OCc1ccccc1F 96477259 QFWLYQKXJXWOAB-ZSOIEALJSA-N 448.903 4.554 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC 208342782 OBVAYKUUMUFBGZ-KGENOOAVSA-N 439.537 4.915 10 10 IJCE C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 248245316 JIGWXFRYCIZDCD-WAIKUNEKSA-N 430.529 4.631 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1ccc(Br)c(I)c1 706989186 BUPYXJKPJBIWIV-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE Cc1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c2cccnc2c1C 743882430 WLFOAZDNYVFPSD-UHFFFAOYSA-N 440.547 4.557 10 10 IJCE CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859889118 NGMUDZRDLFWKLP-NTCAYCPXSA-N 440.455 4.825 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1860084159 NFOBZVWDVANBMY-VIZOYTHASA-N 435.870 4.871 10 10 IJCE CCCCOC(=O)c1cccc(NC(=O)CCNCc2ccc(N(CC)CC)cc2)c1 1860708943 BEZCPVBYDJOFLL-UHFFFAOYSA-N 425.573 4.608 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC 1865671360 XNFKGXRGNDPTQU-VCHYOVAHSA-N 443.341 4.967 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)ccc1OC(C)C 1865671783 DFHUGYITPGZALE-YBEGLDIGSA-N 436.405 4.966 10 10 IJCE CCOC(=O)C1(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)CCCCC1 1866180169 RKLWTYWADDWMLC-UHFFFAOYSA-N 429.538 4.962 10 10 IJCE COc1ccccc1-n1c(C)cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 1873836846 ITBGVDHPPWFDQW-FMIVXFBMSA-N 429.564 4.574 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163306359 JSSVTHZKXYEGDV-MBSDFSHPSA-N 428.418 4.961 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 2297512762 KRYARKKSOVJPSN-UHFFFAOYSA-N 425.488 4.819 10 10 IJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 2313683648 NEZWKXAMKQMIRE-UHFFFAOYSA-N 441.487 4.619 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](CC)C(=O)O)cc3)SC2=S)cc1 2314929035 GFUTWSQLBAIDBN-SFHVURJKSA-N 443.546 4.733 10 10 IJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1)C(=O)O 2314929193 IPUDRQWBYUHHRF-SNVBAGLBSA-N 437.901 4.737 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1OCC 2321718250 OPAACFRGKDNWGE-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE N=C1/C(=C\c2ccccc2OCc2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 2977684 XKXNOEPRQJTRDK-UQIALHJZSA-N 438.512 4.933 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCOCC1 14470919 JYQBDQKTXFRFTK-MRUHUIDDSA-N 439.899 4.547 10 10 IJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)cc1 526159022 NAHPLDMZUWCWEC-RUZDIDTESA-N 442.515 4.889 10 10 IJCE Cc1ccc(O)c([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687733766 IUMJFHIFZAZEQD-SANMLTNESA-N 431.488 4.929 10 10 IJCE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708077242 QFKSLXZDDQKEFP-SFHVURJKSA-N 435.790 4.837 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)c2cc(O)nc3ccc(Br)cc23)cc1 737483804 KUGJHWIJFXUGEM-UHFFFAOYSA-N 442.357 4.821 10 10 IJCE C/C(=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 1444505773 KJSQSBPONJOICC-UZOYXQLSSA-N 441.547 4.677 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(F)ccc3c2=O)sc(C)c1-c1ccccc1 1866412008 OKILIZBNDHJOCP-UHFFFAOYSA-N 436.464 4.743 10 10 IJCE CCCc1nc(-n2cccc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179189 SKPYVHXSALAVJD-UHFFFAOYSA-N 441.512 4.914 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190561958 TWMHCXXOQOYTOJ-QUJKESNLSA-N 433.365 4.867 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 2296660330 YIIWVODJQPEAAN-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1 2296882870 BCFUKMGROKHOFV-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OC 2323789988 SHEKLBQNDBUEFY-UHFFFAOYSA-N 434.627 4.604 10 10 IJCE CCCN1N=C(C(F)(F)F)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)C1=O 2332127368 QGJATVJOEYCIFS-UHFFFAOYSA-N 449.267 4.799 10 10 IJCE COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1 3657294 FPUGGPAFTSNIBY-MFOYZWKCSA-N 432.954 4.706 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccs2)SC1=S 15046454 UNOSDFLBNMKADP-ADVUTCEVSA-N 442.509 4.995 10 10 IJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)c1 20071266 LAXYJJGUPRLGQC-OFVILXPXSA-N 432.476 4.660 10 10 IJCE COc1cccc(Cc2cnc(NC(=O)NCc3cccc(Br)c3O)s2)c1 765215357 UUYPYWZJALZUHZ-UHFFFAOYSA-N 448.342 4.532 10 10 IJCE Cc1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c(C)n1-c1cccc(Br)c1 792673556 FYKLGDKDUZJHEE-SFHVURJKSA-N 429.318 4.684 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080004925 HCQRLSNZMNIIMZ-QGZVFWFLSA-N 436.394 5.000 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@H](NCc3c(O)cccc3Br)C2)CC1 2155242669 NNMFELBYWRHZTI-HNNXBMFYSA-N 439.394 4.814 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1ccc(Br)cc1 2163038804 KIIXOZRPUZVMII-LJQANCHMSA-N 434.378 4.610 10 10 IJCE NCc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163304809 FHGAJFLUHYAJRR-JOCHJYFZSA-N 432.381 4.539 10 10 IJCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1I 2234170665 GBSSVJFKQDKWJN-UWVGGRQHSA-N 425.057 4.559 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)ccc1NCc1cc(Br)ccc1O 2268588401 UPJDYGPWVWYGLC-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 2293128225 CZDWQQXQFZUJSB-UHFFFAOYSA-N 432.929 4.655 10 10 IJCE O=C(NN1C(=O)C(=Cc2cccs2)SC1=S)C(c1ccccc1)c1ccccc1 2297301227 CXOKUAZKWIZFQA-UHFFFAOYSA-N 436.583 4.813 10 10 IJCE N=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352783 WDXANSNYASTSNK-UHFFFAOYSA-N 439.928 4.663 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)cc1OCC 2321733889 WTMWLTGWQSFHPY-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 526157694 IQVOAFGNKUELER-QFIPXVFZSA-N 434.517 4.643 10 10 IJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526210779 GICROGSSAFBQTN-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526216598 MYMAXKCZKPQHPE-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(Br)ccc1O 723810613 WWSKUHPBPCAQLT-VBQJREDUSA-N 427.383 4.698 10 10 IJCE O=C1/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)SC(=S)N1Cc1ccccc1 728609919 BLWSXPBGXXDFJC-GIJQJNRQSA-N 438.555 4.940 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 742565580 AWNXVJCKVBQUPL-UHFFFAOYSA-N 444.466 4.632 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(OC(F)(F)F)cc1 1860087544 FURFRLHACWXNMC-NTEUORMPSA-N 426.397 4.899 10 10 IJCE CC[C@H](C)[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1865949885 BCVQBCAYNJASNZ-QFYYESIMSA-N 439.375 4.585 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873166498 BCUCJJBANFRICI-UHFFFAOYSA-N 429.564 4.817 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163265588 ZFHNCTGBSOTBNZ-MBSDFSHPSA-N 429.402 4.995 10 10 IJCE CNCc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163318763 QEEZCIVOYIFYJJ-HSZRJFAPSA-N 428.418 4.661 10 10 IJCE CC[C@H](NC[C@@H]1CC1(Br)Br)c1cc(Br)ccc1O 2217996810 LZBDLNOFLFXKJD-KWQFWETISA-N 441.989 4.701 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)c1)C(=O)O 2314931358 NDHXYAHMOBYESC-GOSISDBHSA-N 427.547 4.951 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc(Br)c1O 2323790708 DASMHGVQCCUMAC-MFKMUULPSA-N 442.400 4.943 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 13639270 VWLGXFIQUGPGQA-SQGPQFPESA-N 427.342 4.652 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1Br 59861405 OBVZWIHBMDIPTJ-ZROIWOOFSA-N 429.270 4.581 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc1OC 210561525 ZJJPGWVZSDKXBA-XDHOZWIPSA-N 426.494 4.655 10 10 IJCE C[C@H](NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(N(C)C)cc1 705690782 WOIZWQKKIBIESJ-QHCPKHFHSA-N 429.608 4.875 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C(C)(C)C1 708139903 TXVIOWFVNGXYLP-HNNXBMFYSA-N 447.801 4.933 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 1860074824 QHLWCSBJCMWALH-XNTDXEJSSA-N 430.352 4.811 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 1860084233 RFNCEOFZMYBPDQ-LICLKQGHSA-N 430.507 4.838 10 10 IJCE CCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166380 OBHOKFCGJGNZPZ-QHCPKHFHSA-N 449.595 4.523 10 10 IJCE CC(C)(C)OC(=O)NCCC1(Oc2ccc(N)cc2)CCN(Cc2ccccc2)CC1 2021623787 MAUMYWBBJRVMHI-UHFFFAOYSA-N 425.573 4.597 10 10 IJCE O=C1C(=Cc2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 2053494147 MLHYOILKGFTXCT-UHFFFAOYSA-N 434.945 4.722 10 10 IJCE COc1ccc(Cn2nc(C3(C)CC3)c(C(C)(C)C)c2I)c(O)c1 2079800409 WPHYDKVTQKGECP-UHFFFAOYSA-N 440.325 4.599 10 10 IJCE CCOC(=O)c1c(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)sc2c1CCCC2 2294025402 RSLLSIIKDVVSHF-UHFFFAOYSA-N 446.619 4.700 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313681421 DNHSZWBWBGFPTL-UHFFFAOYSA-N 439.512 4.610 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S 2314768713 MDJJKJFIOAKJTB-QGZVFWFLSA-N 435.929 4.985 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1)C(=O)O 2314932409 VRNDVQGMWURWRI-GOSISDBHSA-N 441.530 4.537 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)CC1 2323858176 NMSGZTCHOYDSRK-UHFFFAOYSA-N 445.393 4.816 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NCCCNC1CCCCC1 13775539 LUYNGPPKPWOVKX-VLGSPTGOSA-N 425.602 4.585 10 10 IJCE COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 20070628 UGYATWFQJGRTEH-DFBJGRDBSA-N 432.476 4.660 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/C(Cl)=C\c3ccccc3)SC2=S)c1 210233816 GULXHNWOXFSLNW-ZDWAMTLGSA-N 445.905 4.612 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2[C@H]2C=CC[C@H]21 251358898 ONEHYVRXEXBBEG-HOBQYKGVSA-N 426.582 4.989 10 10 IJCE CC1CCN(c2cccc(NC(=O)c3c(F)cccc3I)c2)CC1 760562537 XTEVAFPBTVCRHD-UHFFFAOYSA-N 438.284 4.919 10 10 IJCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(Cc1ccccc1)Cc1ccccc1 798972957 NFQUEFHZJAKAEM-UHFFFAOYSA-N 446.566 4.505 10 10 IJCE Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)c(C)n1-c1ccc(C(C)C)cc1 1631924923 OINATVMCXOUKTM-HSZRJFAPSA-N 443.551 4.755 10 10 IJCE O=C(O)Cc1sc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1-c1cccs1 1858003973 FZEWZHYJPQLANB-UHFFFAOYSA-N 449.362 4.606 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](N)CC(C)C)sc(C)c1-c1ccc(Br)cc1 1865917795 GTSOHEMBESUNIK-CQSZACIVSA-N 439.375 4.585 10 10 IJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951866764 GPEBIHYSAZPUFJ-QHCPKHFHSA-N 447.487 4.788 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccccc2I)cc1Br 2280346969 JRJXVFCYUBBDTE-NSHDSACASA-N 445.142 4.710 10 10 IJCE CCC(CC)C1=NN2C(=N)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 2296400248 JBWPQTOQXZZMKR-UHFFFAOYSA-N 448.390 4.570 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139511 OMRKUMPQCQVNJJ-UHFFFAOYSA-N 426.472 4.532 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15044573 FARYMTLUGKBVKO-LGMDPLHJSA-N 445.522 4.588 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 39859248 PCAHDYUBJYUSKG-VDZUBFLMSA-N 425.491 4.515 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 40938666 KLSLGZNRVSSITR-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE C[C@@H](Nc1ccc(Br)c(I)c1)c1cc(O)ccc1O 311668626 ZFXBXHHGEVLGMT-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(F)c(F)c1F 526619898 VMBUXLFNUTZWED-HXUWFJFHSA-N 431.341 4.711 10 10 IJCE Cc1ccc(O)c([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687752611 IUMJFHIFZAZEQD-AREMUKBSSA-N 431.488 4.929 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H]1CCNCc1cc(Cl)cc(Br)c1O 708074123 ZEOYLVUGQJHDBI-AWEZNQCLSA-N 433.774 4.687 10 10 IJCE COc1cc(N(C)Cc2ncc(-c3ccccc3Br)o2)cc(OC)c1OC 741794779 AWQCLEAETGZZPL-UHFFFAOYSA-N 433.302 4.766 10 10 IJCE COc1ccc(N2CCN(CCNC(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)cc1 743277758 CZPMAFGKPQTLNM-UHFFFAOYSA-N 438.616 4.886 10 10 IJCE COc1ccc(O)c([C@@H](C)NCCCC(=O)Nc2c(C)cc(Br)cc2C)c1 782051755 CXMVNNOPJOIWEU-OAHLLOKOSA-N 435.362 4.850 10 10 IJCE Brc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)ccc1N1CCCCC1 1621204182 AWYGXOJMEFPAIW-NRFANRHFSA-N 429.402 4.883 10 10 IJCE CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592016 GIEYRMOIUISOKN-XAJRUKRBSA-N 441.574 4.966 10 10 IJCE Cc1ccc(O)c(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 1865665715 IEAFMKQFSGLSPT-ZROIWOOFSA-N 425.204 4.812 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1cccc(Cl)c1 1865671442 BAZNBLWOQNIJEL-STZFKDTASA-N 430.891 4.941 10 10 IJCE CCOC(=O)c1c(C(C)C)nn([C@@H](CC)c2ccc(OC)cc2O)c1Br 2080000755 YXLBLZRGILLYQE-AWEZNQCLSA-N 425.323 4.659 10 10 IJCE CC[C@@H](N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104843943 NHEHMWMNKBTWPZ-MUKKUYKPSA-N 431.346 4.591 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@H]2CCCC[C@@H]21 2179399580 ZQNTUXPJBJZPOS-JZXOWHBKSA-N 439.394 4.670 10 10 IJCE CN(c1ccc(CNC2CCC2)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 2240038285 RVHARUDLSVPDJK-QFIPXVFZSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNCc1cc(Cl)cc(Br)c1O 2330513659 JACZNXYZMWAHMK-XFJVYGCCSA-N 445.785 4.686 10 10 IJCE CCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2c2ccccc2)cc1OC 2332113986 GAXLYJVOIFMQDJ-UHFFFAOYSA-N 429.314 4.506 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357094272 TWMHCXXOQOYTOJ-DKXUYOFUSA-N 433.365 4.867 10 10 IJCE CCCC[C@@H](CC(=O)NCc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2380719278 CJLBURNIUVVZRA-HNNXBMFYSA-N 443.382 4.553 10 10 IJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 35189751 LDHMYVDIDKPBEC-QGOAFFKASA-N 447.965 4.797 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 102470085 GYSNMNYEYXSFQZ-MRKXPFMVSA-N 430.464 4.948 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226744750 AOBHQDCUPNLYNE-OHUGHZGNSA-N 434.536 4.929 10 10 IJCE COC[C@@H]1[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCCN1Cc1ccccc1 581813252 OUPXBDLMQOUKQI-KAYWLYCHSA-N 449.639 4.563 10 10 IJCE CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 800546356 MUTZJZIBPPJLKD-INIZCTEOSA-N 428.964 4.881 10 10 IJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)N(C)C)cc1 1858594002 GZHUGOWVSZSYJA-CVNFFVDQSA-N 444.647 4.921 10 10 IJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC)C1=O 1873422597 FMUYXNYGPSZQFP-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2294130875 MFTMURDZHULGMW-UHFFFAOYSA-N 433.895 4.722 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2296881950 FCZRPILUJKPSST-QGZVFWFLSA-N 447.965 4.983 10 10 IJCE CN(C1=NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1)c1ccccc1C(=O)O 2314557333 YJRVTSDLVIRCQS-UHFFFAOYSA-N 449.444 4.660 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12)c1cc(Br)ccc1O 2330838417 PILGWOXEZJOIBQ-MWQQHZPXSA-N 425.367 4.593 10 10 IJCE COc1ccc(/C=C2\N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1 2354218 OMPMVDNXNKMPBY-BOPFTXTBSA-N 440.322 4.749 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2[C@@H]2C=CC[C@@H]21 14545741 ONEHYVRXEXBBEG-NARGUJOISA-N 426.582 4.989 10 10 IJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)c1 15045805 QEMOCIDZBLCVDF-NJPLLEPOSA-N 432.954 4.582 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCc3ccccc3OC)C2=O)cc1 17095418 MGGJLMGLELXLJA-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 226831409 JMHCKZSHYMVIMQ-IECBHUPTSA-N 433.508 4.999 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)ccc21 482954814 FZFCTBIYXXLMKT-UHFFFAOYSA-N 442.506 4.866 10 10 IJCE O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1c1ccc(OC(F)F)c(Cl)c1 735704213 TVCMUHMRNPRQHZ-VIZOYTHASA-N 437.880 4.995 10 10 IJCE COc1cc(N(C)Cc2nc(O)c3c(-c4ccccc4)csc3n2)cc(OC)c1OC 741798471 HHNWGCCTWMMSNU-UHFFFAOYSA-N 437.521 4.726 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)c1 745593757 VXLITTJSBRFISU-UHFFFAOYSA-N 447.604 4.915 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)CCCc2ccccc2)cc1 1857991957 LKTRSFYNNBTONE-UHFFFAOYSA-N 433.577 4.762 10 10 IJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)N(C)C)cc1 1858594094 KZJPUZRPGMZJKD-LSCADSNKSA-N 432.998 4.853 10 10 IJCE COc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1OC 1860853531 BQKGQBQHSIMSNW-UHFFFAOYSA-N 447.535 4.593 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)CCCCCCCCC(=O)O)N2CCCCC2)cc1 1865980512 DGVXWRDTLMFOKR-QHCPKHFHSA-N 431.621 4.601 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C(F)(F)CC1 1966028082 LPXFUMLLKCYNFV-CQSZACIVSA-N 425.303 4.823 10 10 IJCE CCCN[C@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2029555393 IYRSXPWZEQBUNA-BVAGGSTKSA-N 439.600 4.602 10 10 IJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](CC)c2ccc(OC)cc2O)c1Br 2080033308 JQHQNTSFTWVFFV-AWEZNQCLSA-N 437.334 4.587 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080035704 GJJQSRLMGFEQAK-CQSZACIVSA-N 430.293 4.640 10 10 IJCE CC[C@H](NCC1(C)CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2103348010 KEOHUJYJKHCMEV-FXUPRZHBSA-N 427.383 4.889 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=S 2293139927 QSEJTNTWRIZVKX-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)cc2)SC1=S 2296701570 DHFPHGAEDCLYMQ-UHFFFAOYSA-N 439.558 4.925 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 2296928434 MVBFZYDGUWJRKS-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Br)cc1 2297317065 GBAFPYCTNSRZQN-UHFFFAOYSA-N 427.327 4.634 10 10 IJCE CC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1 2297470630 AFIKJEDWPVPZMP-UHFFFAOYSA-N 431.443 4.752 10 10 IJCE CCN(CC)c1ccc(C=C2C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 2297499940 YOWXUBRXSSDOKZ-UHFFFAOYSA-N 437.956 4.854 10 10 IJCE CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2-c2ccc(Cl)cc2)cc1 11730492 ZRNZMLLEBZKESZ-UHFFFAOYSA-N 438.940 4.565 10 10 IJCE O=C(/C(Cc1ccccc1)=C1/SC(=S)N(Cc2ccccc2)C1=O)N1CCCCC1 39793785 LFGDKTJTFPCYEH-QZQOTICOSA-N 436.602 4.556 10 10 IJCE Cc1c(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)oc2ccccc12 734535670 QETMAIAWLAHZRI-UHFFFAOYSA-N 429.467 4.811 10 10 IJCE O=C1/C(=C\c2ccc(O)c(O)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 1865649860 IDQHBTKEQBIQHH-WZUFQYTHSA-N 431.197 4.749 10 10 IJCE CCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCCCc3ccccc3)c(OC)c2)C1=O 1865671160 NFOBTAAKADGUIN-JXAWBTAJSA-N 432.442 4.871 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Br)c(OCC)c(OC)c1 1865671164 NKZHPMVGUHRCTG-RVDMUPIBSA-N 444.329 4.838 10 10 IJCE COc1ccc(N2CCN(C(=O)c3c4c(nc5c(Cl)cccc35)CCCC4)CC2)cc1 1866401506 LMAVATJQYVSMER-UHFFFAOYSA-N 435.955 4.738 10 10 IJCE CN(C)c1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1952739455 BTXJGGXKUGTIDS-SQHAQQRYSA-N 442.515 4.591 10 10 IJCE CC(C)c1nn(Cc2cccc(Cl)c2O)c(I)c1C(F)F 2079725816 YMDFGCDNGMJPEH-UHFFFAOYSA-N 426.632 4.956 10 10 IJCE COc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2079998294 PBIRJJGKXKYONY-INIZCTEOSA-N 425.323 4.817 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Br 2080047465 FNFFVBFZBBBEDN-OAHLLOKOSA-N 431.277 4.938 10 10 IJCE CN(C[C@@H]1CC1(Br)Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2210249355 DVNCLSOOZQCMRA-ZDUSSCGKSA-N 448.199 4.654 10 10 IJCE CC(C)(C)OC(=O)N1C[C@](C)(CNCc2cc(Br)cc(F)c2O)CC1(C)C 2236750097 OKBGIWBDQDWRBV-FQEVSTJZSA-N 445.373 4.809 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)c(C)c1 2294216500 OZSYOPRVRHGSPS-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2296882499 WZEXLTMWZDTZGG-INIZCTEOSA-N 447.965 4.983 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2296882535 YLCIGTAXKMTGLZ-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE O=C1SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 2297560066 ISVYMBSFQWUPLR-UHFFFAOYSA-N 441.484 4.961 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1 20717435 RJDMCEDGSYFWKP-VIZSFHNOSA-N 426.582 4.989 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 34145287 HQDDUWKXTQCULM-HUBONXQRSA-N 434.521 4.564 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NC2CCCCCC2)cc1 205961651 DFLYQMIVCJALMS-HAVVHWLPSA-N 448.523 4.941 10 10 IJCE CCOCCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC1=S 208274676 OIZMGMLZGOVAGB-CAPFRKAQSA-N 441.622 4.853 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 312729443 SHTTYPNDTRRDKY-LEWJYISDSA-N 428.418 4.517 10 10 IJCE CCc1cccc(CNc2ccc(Br)c(I)c2)c1O 691472275 FFFVWQCFNCRJTM-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708087467 CHLLFBPXVDDQIU-CYBMUJFWSA-N 447.801 4.935 10 10 IJCE CC(C)(C)OC(=O)NCc1cccc(CNCc2cc(Br)cc(F)c2O)c1 715770094 NSYPDINOPJUECW-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE CCSc1cnc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1 1628565861 SONJABFRXVBEBD-UHFFFAOYSA-N 437.565 4.821 10 10 IJCE CC[C@@H](N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2036152145 VXRPCCUCCSFRHO-UYAOXDASSA-N 447.373 4.997 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2293601529 KLYZHBMMEDAERO-UHFFFAOYSA-N 437.499 4.572 10 10 IJCE COCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccccc3)cc2)SC1=S 2296701132 XAAPVZCFVNILSW-UHFFFAOYSA-N 439.558 4.543 10 10 IJCE N=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 2297469180 QZKCBXPELRALCS-UHFFFAOYSA-N 433.880 4.662 10 10 IJCE CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OCC 2313510765 OBMVNTIRZKCNES-UHFFFAOYSA-N 435.520 4.747 10 10 IJCE O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1N1CCOCC1 2314489983 UWNJYNUQQKGSDX-UHFFFAOYSA-N 441.361 4.702 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469224 LFPDIJPAHTXUKV-FHAGJXEFSA-N 434.536 4.977 10 10 IJCE CN1/C(=C/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)C(C)(C)c2ccccc21 102141323 JNKCSQFMRXPTGK-VHVWWYSBSA-N 436.558 4.945 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3cccc(OC)c3OC)C2=O)cc1 205959655 AKRXBYWJQAUXEI-HAVVHWLPSA-N 443.503 4.849 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226671713 SHIVJBOUCJGQNX-OEZJKNOUSA-N 425.598 4.656 10 10 IJCE C[C@H](NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(N2CCOCC2)cc1Cl 766165807 YMVXKPKKUZBONG-IUKKYPGJSA-N 434.049 4.972 10 10 IJCE COc1cccc(CN(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1O 770689604 QFBVPWQUIWDSHV-NRFANRHFSA-N 429.463 4.738 10 10 IJCE Cc1cc(Br)c(O)c(CNc2ccc(OCc3noc(C4CC4)n3)cc2)c1 781637389 ZASBLFKYIDBQFE-UHFFFAOYSA-N 430.302 4.915 10 10 IJCE O=C1c2ccccc2C(=O)C1[C@H](c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O 1088674969 MFZFCWSRIBAVDK-IBGZPJMESA-N 430.843 4.979 10 10 IJCE CC(=O)c1cc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)ccc1C 1537640963 PLQOEXPIOTWVHJ-YBFXNURJSA-N 442.537 4.567 10 10 IJCE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1CCc1nc2ccccc2[nH]1 1860086825 JUFCCWHGUPMAKF-MHWRWJLKSA-N 444.925 4.568 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(SC)c4)cc3)CC2)cc1 1872884287 PBOUIXCQTDHSOL-UHFFFAOYSA-N 447.604 4.992 10 10 IJCE Cc1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc(Br)cc1[N+](=O)[O-] 1891302467 SVLZJHZVOHDOEJ-YJBOKZPZSA-N 444.329 4.584 10 10 IJCE CN1CCCc2cc([C@@H](O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044733045 HGLGPZATGILYLI-VWNXMTODSA-N 440.584 4.603 10 10 IJCE CC[C@@H](NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 2092545058 PCEJVODXOPOKPU-WBVHZDCISA-N 427.383 4.841 10 10 IJCE CC[C@@H](NC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2152866175 SGVOJURDOKXFIK-NVXWUHKLSA-N 439.394 4.985 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1Br 2160685240 KETYAGNBYVEFBC-UGKGYDQZSA-N 428.418 4.658 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1)C(=O)O 2314930523 FKTAEXSHRUZJSM-SFHVURJKSA-N 427.547 4.951 10 10 IJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1OCC 2323770273 QADYPZOORIBNAI-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CCCCOc1c(Br)cc(C=C2C(=O)N(c3ccccn3)N=C2C)cc1OC 2332114553 QOEXKGRYFDQCPT-UHFFFAOYSA-N 444.329 4.838 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2333003596 VVDHHVVPZFJANQ-TXKWRHDYSA-N 445.785 4.590 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2334529187 LCHMSVCZNKUUPP-DXEWXGHRSA-N 425.367 4.593 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380812618 XLAHYYWSIIAOGJ-KKSFZXQISA-N 439.394 4.732 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14548285 GVEMRVDDAMXAFQ-LZCXECNNSA-N 426.516 4.844 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 33579638 RIUACLRLHWAWPL-OEAKJJBVSA-N 446.503 4.569 10 10 IJCE O=C1/C(=C/c2ccc(OC(F)(F)F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 59397802 DECZUVPPQAGHEX-ZROIWOOFSA-N 426.397 4.899 10 10 IJCE COc1ccccc1/C=C1/C(=O)N(c2ccc(Br)c(C)c2C)C(=O)N=C1O 59860346 GGVLIGUKPGNKCG-GXDHUFHOSA-N 429.270 4.581 10 10 IJCE O=C(Nc1ccccc1)C1CCN(C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)CC1 96892012 MKRNSRNWIGVBKF-QINSGFPZSA-N 431.580 4.958 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(Br)ccc1O 389795852 UEKWLQPBAJPBMJ-JQFCIGGWSA-N 427.383 4.841 10 10 IJCE CC(=O)N1CC[C@H](NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc21 1312305261 OYHXHHPZYXWLEP-DEOSSOPVSA-N 430.552 4.700 10 10 IJCE COc1ccc(N2CCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)CC2)cc1 1860222350 PVGHNQJBHGSKQI-UHFFFAOYSA-N 425.532 4.666 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)CCO2 1891891741 YMNAHJGPQVFGEZ-UHFFFAOYSA-N 427.334 4.853 10 10 IJCE COc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 2314836239 BTWDEZZESCTQIL-GFCCVEGCSA-N 432.954 4.577 10 10 IJCE Cc1ccc(CN[C@H]2C[C@@H]3CC[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2380808300 JVXPHOUHDFHJJI-OTRWWLKZSA-N 439.394 4.635 10 10 IJCE N=C1/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 2977580 GSJSAMKINPRTOA-FNKNWIJASA-N 438.512 4.933 10 10 IJCE CCCN1CCN(c2cc(NCc3ccco3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9642005 CWMDFOOJJLAJES-UHFFFAOYSA-N 442.519 4.776 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCc1ccccc1 15045271 WYEDPXCLYDZCPI-HKWRFOASSA-N 442.581 4.904 10 10 IJCE O=C(/C=C\c1ccc(Br)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 33456132 IASFBDKJUIFODF-RAXLEYEMSA-N 432.273 4.876 10 10 IJCE CCOc1cc(/C=C/C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc(Cl)c1OC 110359426 FRGIWHJKWWWXCW-BJMVGYQFSA-N 444.959 4.554 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)ccc1O 210510851 GRCVEOLFDYPUJW-MHWRWJLKSA-N 429.548 4.629 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526175983 NGTVSIDCGIKGIY-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526394713 TYSSYAXATJPLFU-DEOSSOPVSA-N 445.494 4.907 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526573183 UXPRGDSLQSELSZ-DEOSSOPVSA-N 444.487 4.812 10 10 IJCE C[C@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 705965215 DHYFNECWCYTZEU-RTFZILSDSA-N 428.418 4.817 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1 1860087617 KECDJGABTBNQAF-SRZZPIQSSA-N 442.606 4.951 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 1865671623 LGKLGXYSGHYEFD-STZFKDTASA-N 430.891 4.941 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2078984371 SAPLGYBOFVUFCU-INIZCTEOSA-N 425.314 4.597 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2cccc(Br)c2O)CC1 2277883229 AXASYBJWLDBWPD-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE Cc1ccc(CNCCC[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352933186 XFJCEDCRXOIFKW-INIZCTEOSA-N 427.383 4.732 10 10 IJCE O=C(CCCNC(=O)c1ccco1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10911056 QYLDUBMFHLOHBU-RUZDIDTESA-N 428.488 4.554 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1nccs1 15038869 APVBGVUOFUCJLH-FLIBITNWSA-N 444.390 4.680 10 10 IJCE CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3cc(C)ccc3C)c3ccccc23)C1=O 27549060 FRTHOMXQKOIJCF-XSFVSMFZSA-N 431.492 4.659 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2c(C)cccc2C)c1C 96822614 ZAVWEAZMQWTXCW-ZZAWEDPDSA-N 448.563 4.563 10 10 IJCE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 205962068 MXJKDNNJRWYFPO-NCELDCMTSA-N 441.531 4.561 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)cc2c1 208280074 CWPHAFHRYXFTCC-XSFVSMFZSA-N 439.606 4.524 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)cc1Br)C1CCN(Cc2ccccc2)CC1 312766215 YYIQJSRWPHYOKQ-NTMALXAHSA-N 429.358 4.648 10 10 IJCE CC[C@@H](NCC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 381881714 HHMULVPULOFIIK-NVXWUHKLSA-N 427.383 4.985 10 10 IJCE CC[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 401719216 AFTXNKCJTHUUIF-TZMCWYRMSA-N 441.288 4.651 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Cl)cc(Br)c1O)C1CCCC1 708074581 DESOYQWNAZZHCB-MRXNPFEDSA-N 447.801 4.981 10 10 IJCE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 715830133 WXKYAKLYHXIZSI-LJQANCHMSA-N 433.362 4.713 10 10 IJCE C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N(C)C)cc1 776239825 WLBRDJHXPDDCCF-QFBILLFUSA-N 437.519 4.592 10 10 IJCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@H]1n1ccnc1 800718505 ACDQOIKROOQAOX-FGSXEWAUSA-N 429.996 4.566 10 10 IJCE Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1083949413 VCJOIEBTDKTTLO-WJDWOHSUSA-N 440.883 4.879 10 10 IJCE C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865782753 CYWLESFPXICJQV-INIZCTEOSA-N 425.484 4.747 10 10 IJCE CCOc1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc(OCC)c1OCC 1891502580 HLKFQMZZQGLPMN-UGKGYDQZSA-N 438.568 4.801 10 10 IJCE O=C(NC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F)OCc1ccccc1 2029883009 YHRMNSILLXWCHO-HNNXBMFYSA-N 437.245 4.646 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2136107426 QOEZCQBNJZNLMH-BFUOFWGJSA-N 445.785 4.545 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151262285 PISZNEOHSPADFP-REPLKXPHSA-N 432.381 4.679 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 2313559956 CTYGDGZWDAQAKK-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1)C(=O)O 2314929059 GQBPLOJWGRRIOM-SFHVURJKSA-N 427.547 4.951 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 33342725 LTRLVTXQWPYSCW-NDENLUEZSA-N 446.488 4.674 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 100275755 YFQCYTHQOHMTKE-GZTJUZNOSA-N 432.701 4.980 10 10 IJCE COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O 210713465 YDXSSSVALJFVEA-XMHGGMMESA-N 426.563 4.624 10 10 IJCE CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OCC 1084150637 OEZPYLDNAQWUQT-HKWRFOASSA-N 444.487 4.694 10 10 IJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)F)c1I 2079226591 PYLFIOKYQJHNHT-UHFFFAOYSA-N 432.130 4.506 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(Br)c1 2186710962 HAIVKJWYKYZQNU-IFXJQAMLSA-N 443.307 4.756 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2c(O)cccc2Br)CC1(C)C 2228502534 QLWMUYCNWWKQGL-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE CN(CC[C@H](NCc1cccc(Br)c1O)C(C)(C)C)C(=O)OC(C)(C)C 2278586264 JXTYUZSLFRGHBC-INIZCTEOSA-N 429.399 4.916 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccccc2I)cc1Br 2280339989 JRJXVFCYUBBDTE-NSHDSACASA-N 445.142 4.710 10 10 IJCE CCCCN(Cc1ccccc1)C(=O)C(=Cc1ccc(N(C)C)cc1)n1ccccc1=O 2293115937 UIBBMBIJQIJLMJ-UHFFFAOYSA-N 429.564 4.741 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 2314732691 SSGIVMPNPXTGAF-UHFFFAOYSA-N 426.563 4.725 10 10 IJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccs3)CC2)cc1 20289558 QULFDIRNXBKOKN-HTAPYJJXSA-N 441.622 4.500 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 34929535 CERDJWBAYAYUBM-UHFFFAOYSA-N 432.364 4.695 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 250121763 SQVUOGYRHWFBOD-USKVXJDGSA-N 444.984 4.624 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 397828358 XPOSYGATXUISHA-USXIJHARSA-N 427.383 4.887 10 10 IJCE CC[C@@H](C)NC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586609309 MJIALYXRYDYVMH-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE CC(C)(C)OC(=O)NCCOc1ccc(NCc2c(O)cccc2Br)cc1 706842362 CDORENKHFHWXJZ-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715029267 SERSDGCPOFLTKO-FHJLPGHOSA-N 428.418 4.960 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(O)nc2ccc(Br)cc12 737819305 TYBXHFFKOGTCQL-UHFFFAOYSA-N 440.341 4.623 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc(OC)c1O 1084337291 ICWZFLDNBKYOIP-DHDCSXOGSA-N 441.452 4.834 10 10 IJCE Brc1cc(CNCc2ccccc2N2CCOCC2)ccc1N1CCCCC1 1461109888 CTAQVDDVNJZAAJ-UHFFFAOYSA-N 444.417 4.566 10 10 IJCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)COC 1705669190 FUNONGHGCHOOCH-AFMDSPMNSA-N 431.584 4.627 10 10 IJCE COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 1865675579 PCTCPPUHWJMFCZ-XQNSMLJCSA-N 426.472 4.625 10 10 IJCE NCc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145261202 JRWHANOIWSFPFG-RBUKOAKNSA-N 432.381 4.538 10 10 IJCE C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)c1ccccc1O 2192611809 STOCECPZPQNRAV-LBPRGKRZSA-N 435.318 4.993 10 10 IJCE CC(C)(C)OC(=O)N1CC(c2c[nH]c(=NCc3cc(Cl)cc(Cl)c3O)s2)C1 2201919806 DUJFOVCMEAXSTR-UHFFFAOYSA-N 430.357 4.524 10 10 IJCE CC(C)[C@]1(NCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2274287486 IBRUKOLODJNXPK-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280345099 USDUCTWBDSRDLX-LLVKDONJSA-N 445.142 4.710 10 10 IJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1Cl 2297317066 HCQFJJNGOZBVSN-UHFFFAOYSA-N 426.929 4.923 10 10 IJCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(-c4ccccc4)o3)SC2=S)cc1 2297561710 UUSBZZBLYRBNGI-UHFFFAOYSA-N 436.514 4.501 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O 2321664162 KOZYILQDEKRVPM-UHFFFAOYSA-N 430.352 4.811 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 2321669711 PYFZPUIZEKRLLB-UHFFFAOYSA-N 436.898 4.677 10 10 IJCE CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N12 4761566 DIQBNIVOACKGBW-IAYHVCARSA-N 429.958 4.687 10 10 IJCE CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)CC(C)(C)C 37403562 MMSHVYRNDOOYSI-GOSISDBHSA-N 440.650 4.825 10 10 IJCE Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 106090684 LFIAYDQPBBYKIA-UHFFFAOYSA-N 440.341 4.567 10 10 IJCE CCC(=O)Nc1cc(N[C@H](C)C(=O)OC)ccc1N=Nc1ccc([N+](=O)[O-])cc1Cl 255973823 GGCPAZJYAXHGMU-LLVKDONJSA-N 433.852 4.986 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CCNCc1c(O)cccc1Br)c1ccccc1 706842469 LGJFUPDZJHUCJI-SFHVURJKSA-N 435.362 4.900 10 10 IJCE C[C@H](NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(N2CCOCC2)cc1Cl 766165809 YMVXKPKKUZBONG-YZZKKUAISA-N 434.049 4.972 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c2)CC1 1269317503 BOBRMOHEVIDAPN-UHFFFAOYSA-N 426.731 4.568 10 10 IJCE Cc1ccc(C)c(OCC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)c1 1859891441 CGSDNNGJPWDDBF-UHFFFAOYSA-N 427.500 4.899 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC 1860085366 GTZAPONRMLMZTM-YBFXNURJSA-N 431.535 4.517 10 10 IJCE O=C1/C(=C\c2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 1865656327 FADXKXXJUJZEKG-DHDCSXOGSA-N 427.195 4.932 10 10 IJCE CCCN[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947477604 KGAOSHLSQSBJON-IFMALSPDSA-N 428.573 4.933 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](NCc2cc(Br)cc(F)c2O)C1 1966034292 RAHGUJDAYJSVIT-INIZCTEOSA-N 443.357 4.563 10 10 IJCE CCOC(=O)c1c(C(C)C)nn([C@H](CC)c2ccc(OC)cc2O)c1Br 2080000756 YXLBLZRGILLYQE-CQSZACIVSA-N 425.323 4.659 10 10 IJCE COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1cc(OC)ccc1OC 2294519813 JPIWYDIWEYNPPE-UHFFFAOYSA-N 448.302 4.888 10 10 IJCE CN1C(=CC=C2SC(=S)N(c3ccccc3)C2=O)Sc2ccc([N+](=O)[O-])cc21 2297321717 LHMOTYVFTBWSRQ-UHFFFAOYSA-N 427.532 4.927 10 10 IJCE O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297559120 QBBRPRYBYPUWOY-UHFFFAOYSA-N 443.684 4.824 10 10 IJCE COc1ccc(N(C)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2313502167 XROMRAOXSBZUFN-UHFFFAOYSA-N 449.395 4.753 10 10 IJCE CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314565955 RJEGHIKYHPYAOW-UHFFFAOYSA-N 433.474 4.913 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OCC)c2)SC1=S 2314769871 WLGJEJHQCWLUGN-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)c1O 2321718181 UTWJIQDPJWTHJY-UHFFFAOYSA-N 443.546 4.762 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 33323890 CZKCSHNWDVDXLK-UNOMPAQXSA-N 444.403 4.597 10 10 IJCE COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 33341760 CBBRIARKKGZHQX-UDWIEESQSA-N 448.906 4.697 10 10 IJCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)ccc3O)C2=O)ccc1Br 34235516 KULONLQLGGJNBJ-JYRVWZFOSA-N 435.661 4.623 10 10 IJCE C/C(=C1/SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)c1ccc(Cl)cc1 39861777 WBJZLTQYTAXOPR-DHDCSXOGSA-N 433.894 4.532 10 10 IJCE O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1cccc(F)c1 59457413 BIUWHOJFRWVYOD-RIYZIHGNSA-N 441.290 4.836 10 10 IJCE O=S(=O)(Nc1ccc(O)cc1Cl)c1c(Cl)cc(Br)cc1Cl 70334310 BIUQROSFHAWZJT-UHFFFAOYSA-N 431.522 4.916 10 10 IJCE COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1 100712876 RWGAQBRGPLFKRX-TXYDOONASA-N 428.492 4.575 10 10 IJCE COC(=O)c1[nH]c2cc(OC)ccc2c1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 102754346 MJKYXUREXPWFEI-YVLHZVERSA-N 442.493 4.508 10 10 IJCE CCN1C=C/C(=C/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 201391257 VIDWBZVRYBTTPU-YETRDSHKSA-N 428.579 4.813 10 10 IJCE CC[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 397828352 XPOSYGATXUISHA-BHYGNILZSA-N 427.383 4.887 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1OCC 1860086975 SPMILYFGUIGFJJ-VXLYETTFSA-N 429.519 4.619 10 10 IJCE COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2O)sc(C)c1-c1ccc(C)c(C)c1 1866176423 NCJSEZMTORJBQG-UHFFFAOYSA-N 440.477 4.993 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873166926 LNHUCRHGFKFRET-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2094044649 ZVQXZZKLDQPVFB-NVXWUHKLSA-N 425.367 4.595 10 10 IJCE CC1(C)CC[C@H](NCc2c(O)cccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2155359390 ZHCQYOVVJCEISG-PBHICJAKSA-N 441.410 4.964 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 2297346710 WJYGVKPMWBYXND-UHFFFAOYSA-N 436.497 4.585 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2313681770 MVKIAMPNRZKSDS-UHFFFAOYSA-N 434.515 4.925 10 10 IJCE O=C(O)c1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1 2332131870 OJRQQKBKJIIHCD-UHFFFAOYSA-N 447.288 4.982 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cccc([N+](=O)[O-])c2)cc1 2332134494 DECOQAQJYXZERD-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE O=C1N=C(O)/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Br)c1 33317977 VVLTYGTVQMKLIL-ZSOIEALJSA-N 439.187 4.975 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1ccccc1 210733949 OFWAFVPKTFBVLE-XDJHFCHBSA-N 426.563 4.793 10 10 IJCE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 381864180 CQCUGFAXVSCKPL-XOBRGWDASA-N 427.383 4.718 10 10 IJCE CC[C@H](N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 382446889 KANXFJPUGKPXDT-QRTARXTBSA-N 427.383 4.889 10 10 IJCE CC[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586622300 ISCAFVXZJSXGQB-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE CCCCOCCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858587753 YZYGAXFVEARYQI-RVDMUPIBSA-N 432.380 4.996 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)cc1 1927428308 FJWKEDZFQYOECX-DNQXCXABSA-N 448.494 4.755 10 10 IJCE O=C(N[C@@H](C(=O)O)c1ccc(N2CCCC2)cc1)OCC1c2ccccc2-c2ccccc21 1951391146 OMNROAJCXOEBLL-RUZDIDTESA-N 442.515 4.951 10 10 IJCE Oc1c(Cn2ncc(C3CCCC3)c2I)cccc1C(F)(F)F 2070249175 OKZSOPXUQQRRLQ-UHFFFAOYSA-N 436.215 4.918 10 10 IJCE C[C@@H]1CN(c2ccc(CNC3CC3)cc2Br)[C@H](C)CN1Cc1ccccc1 2152169741 PWRDBALIFZNYPI-QZTJIDSGSA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@@H]2CCCC[C@@H]21 2179394134 XLWZVTAXEVOWLN-SZMVWBNQSA-N 439.394 4.670 10 10 IJCE Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 2294204911 SLAYCVKWLHSWBU-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccccc1Br 2321613567 GLVQHHNUFPFVIS-UHFFFAOYSA-N 434.336 4.626 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(CC)CC)cc3[C@@H]3C=CC[C@@H]32)cc1 14480626 LZBGWCPKNWUDGE-DPLHUUCSSA-N 426.582 4.942 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1Br 33430255 AZDXPKHYQUUGRX-NTEUORMPSA-N 449.301 4.659 10 10 IJCE CN(c1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1)C1CCCCC1 109295208 QNONKRMFVRLLQG-UHFFFAOYSA-N 439.625 4.686 10 10 IJCE O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 1858590677 DLQFAQAWLAWNOR-OQLLNIDSSA-N 434.336 4.549 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679243 CNNMWMPTGHNNFA-MHWRWJLKSA-N 441.871 4.601 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3cc(Br)cc(F)c3O)[C@H]1CC2 1966051841 WHFKDWWRXDNMBP-USXIJHARSA-N 443.357 4.704 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163319431 VFVDHVXLFKBGBQ-FDDCHVKYSA-N 428.418 4.961 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cc(C)n(-c2ccccc2F)c1C 2294037507 MFIPMSGGVSTTDR-UHFFFAOYSA-N 434.467 4.699 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2296851841 ARHRKXOABDRJHG-UHFFFAOYSA-N 427.243 4.920 10 10 IJCE CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O 2297509650 NKVNMCGLOGQPLL-UHFFFAOYSA-N 435.483 4.698 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O 2297561063 IHQIASNNSLPAOU-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE C[C@H](O)c1cnc(Sc2cc(I)ccc2Br)s1 2300845761 AIYKNMPIINUEBA-LURJTMIESA-N 442.141 4.715 10 10 IJCE c1ccc(COc2ccc(N=NN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 2330221758 HYDLGMIDPJGXIP-UHFFFAOYSA-N 430.508 4.811 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc(Cl)c1O 16688248 OSMARGMDUNHWEA-AWNIVKPZSA-N 435.263 4.913 10 10 IJCE CN1C(=O)/C(=C(/Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)SC1=S 39793822 JYNBBNJIMVOCEX-FOCLMDBBSA-N 436.480 4.631 10 10 IJCE COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 254754896 VCNJYUUQDSPFAO-INIZCTEOSA-N 433.464 4.678 10 10 IJCE CC[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311300603 RFVHSFZEUCUADM-WBVHZDCISA-N 427.383 4.985 10 10 IJCE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 745649783 XUHNAXQXKBJXLS-VGSWGCGISA-N 429.536 4.501 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OCC4CCCCC4)cc3)c2)CC1 1435912716 QXOORDMCLNCCMH-UHFFFAOYSA-N 435.568 4.567 10 10 IJCE Brc1cc(CNCc2ncccc2Br)ccc1N1CCCCC1 1621104243 BYNRFSZSDSDSPU-UHFFFAOYSA-N 439.195 4.887 10 10 IJCE Cc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1C 1859099271 AMWZOFMQGUPFBK-UHFFFAOYSA-N 429.564 4.871 10 10 IJCE Cc1cccc(-c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)n2)c1 1859616378 DJBLFJZUSXDVNV-UHFFFAOYSA-N 433.467 4.788 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865674329 ZVVGAGQCMFBIMP-HYARGMPZSA-N 446.890 4.877 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873425036 ZDAUMQOQDCDRDW-UHFFFAOYSA-N 442.563 4.761 10 10 IJCE CC[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccccc1O 2084720840 CCBJNSYRQKPNTM-FYYLOGMGSA-N 439.600 4.554 10 10 IJCE CN(C[C@@H](O)c1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2169702034 LWCIEQRGEMETSA-LJQANCHMSA-N 435.362 4.644 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 2296252550 APYTYLAEGRBUCY-UHFFFAOYSA-N 449.601 4.508 10 10 IJCE COc1ccccc1C=C1N=C(c2ccc(OC)c(OC)c2)N(c2cccc(C)c2)C1=O 2297299282 PWYODILEEUMVML-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE Cc1ccc(OCCOCCOc2ccccc2C=C2SC(=S)N(C)C2=O)cc1C 2297306585 OEOQYVAQJSSLAP-UHFFFAOYSA-N 443.590 4.609 10 10 IJCE Cc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O 2297350467 KOCINMBXELVJJP-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE CN(C1=NC(=O)C(=C2C(=O)Nc3ccc(Br)cc32)S1)c1ccc(Cl)cc1 2297368291 LVEYBLWYSHBMNM-UHFFFAOYSA-N 448.729 4.532 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(O)=NC2=S)cc1 2248389 AZKOZKZVNFNXQH-STZFKDTASA-N 431.517 4.774 10 10 IJCE CCCCCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 208279987 QQHURCJIEODPBX-HMMYKYKNSA-N 441.622 4.771 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2)N1CCc2ccccc21 226647761 HNEIPQCQUGHJHU-TVZXLZGTSA-N 444.556 4.970 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526237728 NHKXZBLIVDLKBO-XMMPIXPASA-N 447.487 4.952 10 10 IJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc2c[nH]nc2c1 526281930 PPIYMSBIOLWKHS-OAQYLSRUSA-N 433.851 4.685 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)cc1F 687738969 SDRWHHVNBAFCDI-FQEVSTJZSA-N 439.414 4.725 10 10 IJCE Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 1293610762 UMYNNEVBKDWVSF-UHFFFAOYSA-N 445.567 4.752 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1 1865678222 AETMGLANMVOLQQ-STZFKDTASA-N 444.487 4.556 10 10 IJCE C[C@@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 2042391251 OCLPWECFWBDLKY-VXGBXAGGSA-N 433.774 4.543 10 10 IJCE CCN1CCc2cc([C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044751682 DDDXZKAFBQUBAC-NTUVXCKYSA-N 439.600 4.567 10 10 IJCE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2Br)c(O)c1 2080022208 GZKGDAXAGAYRLQ-GOSISDBHSA-N 435.318 4.715 10 10 IJCE CC[C@H](NCC1(CNC(=O)OC(C)(C)C)CCC1)c1cc(Br)ccc1O 2098634158 JRRZHBRLMXXMAP-INIZCTEOSA-N 427.383 4.890 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 2297470491 PRGLOVHFCWUOHW-UHFFFAOYSA-N 429.505 4.663 10 10 IJCE CCCCOC(=O)CN1C(=O)C(=Cc2c(OCC)ccc3ccccc23)SC1=S 2314740088 VXVVVMNGIZRWAK-UHFFFAOYSA-N 429.563 4.783 10 10 IJCE COc1cc(C=C2SC(=S)N(CCCCCO)C2=O)ccc1OCc1ccccc1 2323791910 BGMXVXQJMPEGEL-UHFFFAOYSA-N 443.590 4.638 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c(O)c1Br 2352685447 FIDJBDLPTVYQDK-PBHICJAKSA-N 427.383 4.587 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352932690 QCTDEMDTQFARGJ-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9484499 HUHXRUPFBDEENW-UHFFFAOYSA-N 447.903 4.723 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C)c2C)c2ccccn2)cc1 54120850 ZWVZSOBXUVVJKL-VWLOTQADSA-N 433.596 4.991 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 761711025 FVJGPRSPJATAQE-XSFVSMFZSA-N 438.877 4.781 10 10 IJCE Oc1c(Br)cc(Cl)cc1[C@H]1NCCc2nc3ccc(C(F)(F)F)cn3c21 821242286 QRZWPCMTRHSAFB-CQSZACIVSA-N 446.654 4.710 10 10 IJCE CCOC(=O)c1c(NC(=O)C2(C(=O)OCC)CC2)sc(C)c1-c1ccc(Cl)cc1 1866169230 VMOKWIQRIAYBCZ-UHFFFAOYSA-N 435.929 4.835 10 10 IJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873425005 YDQJTJLRLUELGJ-UHFFFAOYSA-N 441.531 4.897 10 10 IJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C(F)F 2079590907 XPJAPFPKFIEJGH-UHFFFAOYSA-N 432.130 4.506 10 10 IJCE CCc1c(C(C)C)nn(Cc2cccc(Br)c2O)c1I 2079820865 OJOTWMWMHSBAMG-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2293320815 SOTAPEXVWFGDQZ-UHFFFAOYSA-N 427.891 4.804 10 10 IJCE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 2296706650 DPHIHZHGFLQFOF-CQSZACIVSA-N 427.547 4.914 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C=Cc3ccccc3OC(C)C)cc12 2297332736 ZIVQBTZZLOJPLL-UHFFFAOYSA-N 431.536 4.819 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297470484 NNBLCZIZDVAPTI-UHFFFAOYSA-N 449.536 4.962 10 10 IJCE CN1C(=O)COc2cc(N3C(=O)C(=Cc4ccc(C(C)(C)C)cc4)SC3=S)ccc21 2321734656 RSGCDFCIWVYFOA-UHFFFAOYSA-N 438.574 4.745 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15047481 FFODRHJYGCUGQU-JPVKTXQWSA-N 426.563 4.622 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)N1CCCCC1 39793773 RVUFZJGHELPONE-HKWRFOASSA-N 444.622 4.612 10 10 IJCE CC1=CSC2=NC(=O)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N12 49593232 OWBCBTZCUADLLT-FKMKJHRGSA-N 442.500 4.585 10 10 IJCE CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(F)cc3)N2)c1O 53363295 QYSZBVSKCOYGSY-CPJSRVTESA-N 434.467 4.881 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526176412 YGXPICFFVSSYTG-HSZRJFAPSA-N 448.494 4.966 10 10 IJCE COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1O 729859571 RNIIDTATVXPBFM-UHFFFAOYSA-N 433.439 4.551 10 10 IJCE Cc1cc(Br)c(O)c(CNc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 781635983 OQTXTEZZWDNSTA-UHFFFAOYSA-N 446.389 4.808 10 10 IJCE Oc1c(Br)cc(Cl)cc1[C@@H]1NCCc2nc3ccc(C(F)(F)F)cn3c21 821242261 QRZWPCMTRHSAFB-AWEZNQCLSA-N 446.654 4.710 10 10 IJCE O=C(O)CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951599277 WPIQZMMMVIEOHP-QGZVFWFLSA-N 447.487 4.585 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 2042763586 LISRNXGJQRUPMY-SFHVURJKSA-N 433.774 4.545 10 10 IJCE COc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2I)c(O)c1 2070173414 KPLMNQKSLYUHGS-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(C=O)c1I 2079034026 GATTUCGXTVQBBM-AWEZNQCLSA-N 426.298 4.611 10 10 IJCE COc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080025655 RQGLTQMFGJKEFN-KRWDZBQOSA-N 437.334 4.961 10 10 IJCE CCN(CC)c1ccc(C=C2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 2295959118 PTCUUYMSLHMDJC-UHFFFAOYSA-N 434.609 4.634 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C)c2C)C1=O)C(=O)O 2314932322 MDOXKPDJLJUCLH-KRWDZBQOSA-N 427.547 4.951 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1 2323739153 NVACIUKPKKZRDW-UHFFFAOYSA-N 434.380 4.902 10 10 IJCE CCN(CCN=[N+]=[N-])C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2337777749 PUGRCAISBKUGLY-UHFFFAOYSA-N 426.315 4.877 10 10 IJCE Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=N3)cc1 2915190 BQZSUPHEWNVWTL-FTJBHMTQSA-N 435.531 4.865 10 10 IJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2977322 LBKAFSALDBEBRN-DEDYPNTBSA-N 429.563 4.649 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)Nc1nccs1 33347622 LRPMMIIPHWKMBY-KPKJPENVSA-N 444.390 4.680 10 10 IJCE O=C(O)CCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S 34981604 NCZIPQVLNGMXAC-CURYZJDOSA-N 437.542 4.813 10 10 IJCE O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 40945657 PEIXCIGAZOLTBE-UHFFFAOYSA-N 430.294 4.826 10 10 IJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 205956298 MBHWALUFMQJFLH-CJLVFECKSA-N 429.451 4.749 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCc2cccs2)cc1 205965392 OIIFRVFJPZOEKZ-CJLVFECKSA-N 435.524 4.753 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526320198 HFOYWIVXMLMDHP-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)cc1 526620562 OGLINVHUTDTWGG-NRFANRHFSA-N 427.378 4.881 10 10 IJCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1162114620 ORVJPQLYDYAMQM-CQSZACIVSA-N 431.458 4.695 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)CCCOc2ccc3ccccc3c2)c2nccn2C)cc1 1865932750 GGUWYAJOZZWEEU-SANMLTNESA-N 442.563 4.704 10 10 IJCE CCC[C@@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867015315 JWZFORULBFIJIB-OPAMFIHVSA-N 446.547 4.512 10 10 IJCE CCCCCSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824996 MPUDCMSWUMDMDP-UHFFFAOYSA-N 438.597 4.816 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951601651 CXJKVGGBGWFIQU-NRFANRHFSA-N 447.487 4.933 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(CNC2CCC2)cc1Br 2240031565 QYIUOPIVUWKNTI-SFHVURJKSA-N 428.418 4.802 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 2297298429 USXKRYPZTYJHGX-UHFFFAOYSA-N 427.504 4.686 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2297335222 ODNFXBYEPPCGEM-UHFFFAOYSA-N 431.231 4.508 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2cccc(O[C@@H](CC)C(=O)O)c2)SC1=S 2314932456 WKUOSJANDIEWKT-SFHVURJKSA-N 427.547 4.897 10 10 IJCE CCCCc1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=S)cc1 2314932577 WSQIOAWMDUFRKQ-UHFFFAOYSA-N 427.547 4.898 10 10 IJCE Nc1ccc(CCSc2cc(I)ccc2Br)cc1 2316393876 QHXRZHSQVZOFRA-UHFFFAOYSA-N 434.140 4.971 10 10 IJCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 2332134513 FETDVHGTTPLYLJ-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc(OC)c1O 2332147396 AOTIZFADCIOSCW-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1ccccc1F 2332147413 BVROFDHAWSGSID-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCOCC1 14470914 JYQBDQKTXFRFTK-CKJXQJPGSA-N 439.899 4.547 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14548287 GVEMRVDDAMXAFQ-ISJBWFOZSA-N 426.516 4.844 10 10 IJCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15045390 LVNQFISOPWMSLW-COOUDCDJSA-N 447.379 4.678 10 10 IJCE CC(C)SC1=NSC2=NC(=O)/C(=C/c3ccc(SCc4ccco4)o3)C(=N)N21 96475775 BDFSDQMLDBPIPO-OTXQKAJQSA-N 432.552 4.883 10 10 IJCE Cc1ccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 102638240 LAHHEWKYWZMEIP-JNCKMBBWSA-N 448.548 4.728 10 10 IJCE CCC[C@@]1(CNCc2cc(Br)cc(F)c2O)CCCN1C(=O)OC(C)(C)C 715713002 NGVABZKQPBAZBB-FQEVSTJZSA-N 445.373 4.953 10 10 IJCE O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Oc2ccccc2Cl)cc1 734741506 IVHOGTKBGGZDHY-UHFFFAOYSA-N 444.940 4.770 10 10 IJCE CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C2CC2)cc1 745850052 WENVRZBOJMTISD-CVDCTZTESA-N 426.630 4.571 10 10 IJCE Cn1ncc(Br)c1/C=C1\SC(=S)N(c2ccccc2C(F)(F)F)C1=O 778245495 HFEKUSZQYUQNIG-SDQBBNPISA-N 448.289 4.607 10 10 IJCE O=C1C[C@@H](N2CCC3(CCOCC3)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 790588086 BLKNYANVKRWEPG-JOCHJYFZSA-N 432.524 4.627 10 10 IJCE CC(=O)N1CCCN(c2ccc(F)cc2NCc2cc(-c3ccccc3)ccc2O)CC1 790935105 SICIYOQUZWKNJR-UHFFFAOYSA-N 433.527 4.869 10 10 IJCE CCN1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 1083892770 VLUBQNZFLBXVQG-SXGWCWSVSA-N 431.451 4.516 10 10 IJCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 1136697612 XZLXPXRFFVBYLI-RUZDIDTESA-N 449.595 4.550 10 10 IJCE Brc1ccc(-n2ccc(CNCc3ccc(N4CCCCC4)cc3)n2)cc1 1461759955 IZLKSJWSSOAHLG-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE COc1cc(/C=C2/SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Br)c1O 1858589654 DASMHGVQCCUMAC-UXVYAQNPSA-N 442.400 4.943 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677289 BPTSTZMKWOGJRC-LTGZKZEYSA-N 449.551 4.529 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2ccc3cccnc3c2n1 1866512910 GHKIWPIZBHALHN-UHFFFAOYSA-N 445.434 4.516 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164171 PEUNIMYXHNIDBT-GOSISDBHSA-N 427.548 4.762 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(C3CC3)C2=O)cc1 1873167325 AYWPVBZQNMNIPI-UHFFFAOYSA-N 429.564 4.817 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148936874 ZTIHMHXKDAPKAX-SXLOBPIMSA-N 429.402 4.851 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)cc1 2296038094 SPCXDEAEHZXQFF-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc2cccnc12 2297368623 BKFBNOVPYHRNEC-UHFFFAOYSA-N 425.560 4.526 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1OC 2321689127 KTLVQSZVIGCUIN-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@@H]3CCC[C@H]3N2C(=O)OC(C)(C)C)c(O)c1Br 2381134214 ZLDFSKQUUHGJKH-BHYGNILZSA-N 439.394 4.731 10 10 IJCE Cc1ccc(-c2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2-c2ccc(N)cc2)cc1 11730810 USJCRBDNWTVQIA-UHFFFAOYSA-N 432.549 4.781 10 10 IJCE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccc(Br)cc43)SC2=S)cc1 40845323 BPQLSXNSEAXYSU-NXVVXOECSA-N 445.363 4.510 10 10 IJCE Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Br)cc1 103801726 GBAFPYCTNSRZQN-YGHDLIBZSA-N 427.327 4.634 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNCc1cc(Br)cc(F)c1O 1651090962 HCDQHOCPDPDRQN-HNNXBMFYSA-N 431.346 4.563 10 10 IJCE CCCCOCCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858587508 HJMLRORYXBJQND-XNTDXEJSSA-N 432.380 4.996 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087807 UXYXSDMIXAIKCL-RIYZIHGNSA-N 426.397 4.899 10 10 IJCE COc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1871333373 SQLZHURLCMOYRO-UHFFFAOYSA-N 440.480 4.846 10 10 IJCE CN(C)c1ccc([C@@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044751337 ZSOQXACBDUZSNB-BVAGGSTKSA-N 439.600 4.596 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCCN1C(=O)OC(C)(C)C 2258759306 DRYWLOJJEBXJRK-XHDPSFHLSA-N 433.774 4.686 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C 2294095536 WDMBHTSJBNXSMJ-UHFFFAOYSA-N 427.504 4.631 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC(=O)c1cccs1 2297364205 MMNITURTNORELE-UHFFFAOYSA-N 425.940 4.508 10 10 IJCE O=[N+]([O-])c1cccc(N=NN(C=CI)c2cccc([N+](=O)[O-])c2)c1 2313517522 KKVKTIODVCHLFX-UHFFFAOYSA-N 439.169 4.915 10 10 IJCE COC(=O)CCCCCN1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=S 2314753615 CMBPVXXLEAYNSK-UHFFFAOYSA-N 429.563 4.783 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)cc2)SC1=S 2314767507 HFWJASWTFFCHHH-LJQANCHMSA-N 427.547 4.591 10 10 IJCE COc1ccc(CN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2323745734 HSNFDDMFDASWNX-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)c(O)c1Br 2352685201 VLODPISQDGHPPN-YWZLYKJASA-N 427.383 4.636 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2 14476367 QUHBTBGHRMZVAG-WZOHSFFVSA-N 432.545 4.740 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@H](C)CC)cc3[C@@H]3C=CC[C@@H]32)cc1 14543658 DCVDNPNPMBTPQW-NDLPUDAZSA-N 426.582 4.989 10 10 IJCE Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)/C=C/c3ccccc3OC(C)C)cc12 20114427 BWCDKTDJCZCDDK-FMIVXFBMSA-N 444.579 4.734 10 10 IJCE CC[C@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708193342 VHRDIYGKAJBIDA-GJZGRUSLSA-N 433.774 4.686 10 10 IJCE C=COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 1524973095 UGWDFASTBYLANO-QGOAFFKASA-N 428.510 4.578 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Nc3cccc(C)c3C)c2)CC1 1538709440 ZRNTZWABFWHBJL-UHFFFAOYSA-N 442.563 4.968 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)c1O 1659357708 XDCBYIAEMDXHPO-FKIZINRSSA-N 438.749 4.973 10 10 IJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1858683618 WJELUCPWHARAIR-UHFFFAOYSA-N 447.278 4.599 10 10 IJCE CCOc1cccc(CNCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O 1860718257 HUOKWRXEOWPYCO-UHFFFAOYSA-N 436.352 4.557 10 10 IJCE CCCN[C@@H](C)c1ccc(N(C)C[C@@H](O)COCc2ccccc2)cc1Br 1916381569 JBKUETDZNHZVSB-FXAWDEMLSA-N 435.406 4.524 10 10 IJCE CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccccc1O 2084720842 CCBJNSYRQKPNTM-GMAHTHKFSA-N 439.600 4.554 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251797 COSBOMVJDHKPHN-GEQKSPFYSA-N 429.402 4.993 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267410 UHWSDXMZYVRTTN-DFNIBXOVSA-N 432.381 4.679 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2c(O)cccc2Br)C(F)(F)CC1 2161227196 HQNYAHABUANSIB-ZDUSSCGKSA-N 449.336 4.527 10 10 IJCE N=C1C(=Cc2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3cccs3)=NN12 2297348105 INKFVIKQOFEFSW-UHFFFAOYSA-N 440.531 4.894 10 10 IJCE C[C@@H](N)c1cnc(Sc2cc(I)ccc2Br)s1 2300804928 HRKOZIMIDBTOPU-ZCFIWIBFSA-N 441.157 4.681 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NC2CCCCC2)cc1 2313682838 LRSCGPQPISOJMK-UHFFFAOYSA-N 434.496 4.551 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccc(Cl)cc1 2314831569 NQJFZEXYDXAZLD-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE O=C1C(=Cc2ccc(O)c(O)c2)C(c2ccccc2)=NN1c1ccc(Br)cc1 2332094601 XLXZGXKYWTVRFZ-UHFFFAOYSA-N 435.277 4.695 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 20681113 VWLGXFIQUGPGQA-MBOZVWFJSA-N 427.342 4.652 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 54620840 OTOFBUJJTNYELT-DEOSSOPVSA-N 443.503 4.730 10 10 IJCE COc1ccc(O)c([C@H](C)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 705694423 BWYWLNDDPCDBOB-NRFANRHFSA-N 432.564 4.523 10 10 IJCE C[C@@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 708073293 NVJHUONTELBKII-ABAIWWIYSA-N 433.774 4.686 10 10 IJCE CC1CCN(c2ccc(CNC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)cc2)CC1 731017079 VDYIYSWABVYICX-UHFFFAOYSA-N 435.499 4.837 10 10 IJCE COc1ccc(O)c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 734017516 KZRGBFJXMUPTMR-UHFFFAOYSA-N 433.439 4.551 10 10 IJCE COc1ccc(C[C@@H](C)N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1318177726 KRRQLCSZKHBWHR-QGZVFWFLSA-N 447.526 4.538 10 10 IJCE Cc1cc(-c2nnc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)o2)c(C)n1-c1ccccc1 1322297611 VLABWDBHCUSWCI-QFIPXVFZSA-N 428.492 4.929 10 10 IJCE CC[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859916633 CNQITMXBRBXRTE-HNNXBMFYSA-N 428.444 4.816 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2cccc(O)c2)cc1 1865654180 IZYRBRQUPRRHBY-KGENOOAVSA-N 449.304 4.998 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc(Br)c1O 1865666466 MCVGLKUULWBJIE-CAOOACKPSA-N 429.314 4.582 10 10 IJCE CC[C@H](N[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 1923157473 CBALSTGWTZSWOX-QRTARXTBSA-N 427.383 4.841 10 10 IJCE CCN(CC)c1ccc([C@H](NC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764251 JSXZDTWPDTZPDR-RPWUZVMVSA-N 441.616 4.903 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(N)c2I)cc1C 2079970691 WFJIXFCPWNAMQD-KRWDZBQOSA-N 427.330 4.761 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(CNC2CCC2)c(Br)c1 2239982248 XKIQKLGMDVFVGN-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 2297470370 HIPBLCUHSJZYQK-UHFFFAOYSA-N 443.532 4.917 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2352695000 XWERVUAMPYUVFN-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21)N1CCOCC1 14467480 CYINAFNUABUARQ-ZJTDPSCFSA-N 445.346 4.998 10 10 IJCE CC(C)Oc1ccc(NC=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 40869615 KVYQOWJFOASZFF-UHFFFAOYSA-N 441.487 4.970 10 10 IJCE CSCC[C@H](NC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C)c1nnc2ccccn12 213985360 LPPSMJAMNRAZAC-MLUDITRGSA-N 445.592 4.761 10 10 IJCE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)ccc1O 311268974 YYXKCGVTIGTACY-VLIAUNLRSA-N 427.383 4.718 10 10 IJCE CC(C)(C)NC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586610764 RHPMRRVWLKUNME-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708124216 DJXGHRWUWXXRCK-UONOGXRCSA-N 433.774 4.590 10 10 IJCE Cc1cc(CCNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1 747579862 DEJHBXSWIOVDMS-FZYZMVIOSA-N 437.609 4.777 10 10 IJCE CCOC(=O)C1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1c(F)cccc1F 1088724826 AFZXBOVISPGZMQ-NTEUORMPSA-N 425.218 4.621 10 10 IJCE Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 1136753482 RZMOHOMBIZEGPD-UHFFFAOYSA-N 431.540 4.513 10 10 IJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(F)c(Cl)c1 1860715383 HOJMQNGBPPAYEK-UHFFFAOYSA-N 436.108 4.719 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860749276 WAJYGVRURFOQJW-UHFFFAOYSA-N 440.496 4.843 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1984694962 NWCBTADOETWSMA-UZUQRXQVSA-N 447.539 4.851 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(N)c2I)C2(C)CC2)cc1C 2079853294 DXVZKFGUKSJFBO-CQSZACIVSA-N 447.267 4.719 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](CNCc2cc(Br)ccc2O)(C(C)(C)C)C1 2160958519 SUGCFDKRQBHIRU-NRFANRHFSA-N 441.410 4.918 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccccc1Cl 2297347296 RZTOHWFVEFVAIE-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE O=C(CN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc(Cl)cc1 2314827670 KANPPUWWWKFQJC-UHFFFAOYSA-N 439.345 4.539 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C)ccc1OC(=O)c1ccccc1 2332133869 LEXOAWKYOKWMKH-UHFFFAOYSA-N 426.472 4.716 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352941005 LFFNTVGQZWCKNL-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CNc3c(C)cccc3C)C2=O)cc(OC)c1OC 1425102 HOPLOKRADHURLV-WQRHYEAKSA-N 444.578 4.600 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 14476366 QUHBTBGHRMZVAG-DFIYOIEZSA-N 432.545 4.740 10 10 IJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1 65023945 RGFSRPUBISDRQG-UHFFFAOYSA-N 443.595 4.523 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 226780059 XTSWQQWGLPKRBG-OTNCWRBYSA-N 432.545 4.697 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(CNC3CC3)c(Br)c2)C1 323551889 QSGUAHFZXXUGQN-SFHVURJKSA-N 428.418 4.659 10 10 IJCE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 381864175 CQCUGFAXVSCKPL-JLTOFOAXSA-N 427.383 4.718 10 10 IJCE CC[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 387878776 ZSKDAVYYPOTIGB-RHSMWYFYSA-N 427.383 4.843 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 702070414 BBQAZSMWNDRWPZ-REWPJTCUSA-N 428.418 4.517 10 10 IJCE O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731955600 OHBFGCBZPYHEEF-SFHVURJKSA-N 433.424 4.847 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3ccc(-c4cccc(OC)c4)cc3)CC2)cc1 745800955 SVWITLBAILTNHS-UHFFFAOYSA-N 445.563 4.839 10 10 IJCE Cc1cc(Br)c(O)c(CNCc2ccccc2CN(C)Cc2ccco2)c1 781631020 FPBXAOCEHUHCSI-UHFFFAOYSA-N 429.358 4.978 10 10 IJCE CCOC(=O)c1c(NC(=O)COc2cccc(N)c2)sc(C)c1-c1ccc(F)cc1 1860075881 VIMZGOPISLPFPI-UHFFFAOYSA-N 428.485 4.639 10 10 IJCE CC[C@H](NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172233974 FSHHARRXCLGRIV-ZSOFBXJNSA-N 445.373 4.838 10 10 IJCE CN[C@@H](C)c1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2182309919 TXJSCCDEUHZETF-YYWHXJBOSA-N 428.418 4.973 10 10 IJCE C[C@H](Nc1ccc(Br)cc1I)c1ccc(O)cc1O 2231654483 CVUPSHABZQODAX-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccccc2C)C1=O 2314827397 DCZRMSNGDXOSGM-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1)C(=O)O 2314928945 FFQRNARBETWQOH-GOSISDBHSA-N 427.547 4.951 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1OC 2332115038 NOMLWQISSUIZOM-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352946623 LXVPQAQYOJMMOI-JKSUJKDBSA-N 427.383 4.779 10 10 IJCE CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(N(CC)CC)cc3)C(=O)N=C2O)cc1 33323972 SIVQMBCEQXKWDA-OQKWZONESA-N 434.540 4.886 10 10 IJCE COCCOC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1 54620294 JIWSONKKHZQFOQ-HSZRJFAPSA-N 443.503 4.649 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2ccc(Br)c(I)c2)c1 312449928 RHORJCQKJDZUHF-SECBINFHSA-N 448.098 4.941 10 10 IJCE CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c[nH]nc3c2)cc1 526283226 URKRAMCXNZAQJM-HSZRJFAPSA-N 428.467 4.825 10 10 IJCE C[C@@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N(C)C)cc1 773619063 QQADECQUDGKLEW-IVZQSRNASA-N 440.975 4.625 10 10 IJCE CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859911188 SWQAOGDHROOFOC-OAHLLOKOSA-N 428.444 4.816 10 10 IJCE CC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1860073398 ARJUPSCYZWJARM-VGOFMYFVSA-N 433.967 4.966 10 10 IJCE CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865984878 BEYTWYUFGPFFMS-MWTRTKDXSA-N 443.503 4.711 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 2127899414 RRNDIEHWKACLBO-DOMZBBRYSA-N 447.801 4.837 10 10 IJCE CCN(CCCOCc1ccccc1)c1ccc(CNCCOC)c(Br)c1 2153189582 XJQFWISXNVSCMU-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21)c1cc(Br)ccc1O 2177715511 KDOLRPPMZSCNEL-SPUZQDLCSA-N 439.394 4.983 10 10 IJCE Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Br)c1 2297317102 ZALCBELCCWHHKB-UHFFFAOYSA-N 427.327 4.634 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S 2313653166 XLIHEWUDLZHQKC-UHFFFAOYSA-N 442.949 4.629 10 10 IJCE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522427 IXELLRSMHGEUBP-UHFFFAOYSA-N 449.557 4.879 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OCC 2326973106 CYZMLCSNXVYNSH-UHFFFAOYSA-N 443.546 4.584 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2F)c1C 3651996 MFIPMSGGVSTTDR-DEDYPNTBSA-N 434.467 4.699 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)O3)cc1 32983911 QLWIJQLSTMCMJW-OEAKJJBVSA-N 447.922 4.708 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(CNC2CC2)c(Br)c1 382754807 LSCSFAOZQIFSAS-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CC1(C)CC[C@@H](CNCc2cccc(Br)c2O)N(C(=O)OC(C)(C)C)C1 686997548 RWMUOXNLHVIJME-HNNXBMFYSA-N 427.383 4.670 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705626677 YQOXLUPTOMRUON-OYRHEFFESA-N 428.418 4.515 10 10 IJCE Brc1cc(CNCCc2ccc3c(c2)OCCCO3)ccc1N1CCCCC1 1179611559 PZPDKBUYIDPUAX-UHFFFAOYSA-N 445.401 4.933 10 10 IJCE CC(C)(C)c1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860708703 UBKWNJKVRSWJEB-UHFFFAOYSA-N 440.543 4.878 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(C(C)C)C2=O)cc1 1873423684 HLAJXKKVFDYOBY-UHFFFAOYSA-N 435.474 4.973 10 10 IJCE CCN(CC)c1ccc([C@H](O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999522669 CSDHRBBSUGVPQE-PKTZIBPZSA-N 428.573 4.676 10 10 IJCE Cc1cccc(O)c1Cn1nc(C(C)(C)C)c(C(F)(F)F)c1I 2079719937 CENDSYUQVXYPKG-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2Br)c(O)c1 2080022209 GZKGDAXAGAYRLQ-SFHVURJKSA-N 435.318 4.715 10 10 IJCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CC(=O)O)c(Br)c1 2153254993 LWUIUDKYKGWXBJ-QGZVFWFLSA-N 429.358 4.648 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2168788387 JAEKXULENPTEND-QMMLZNLJSA-N 428.418 4.688 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)N(C)C)cc1 2318683669 DJXATIAFTRVGAR-IBGZPJMESA-N 430.570 4.647 10 10 IJCE Cc1ccc(CNc2cc(F)ccc2I)c(O)c1Br 2352945036 PURSAXJZMWXDOU-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C/c2cn(C)c3ccccc23)C1=O 33305985 UMQFWOVJBXSSJV-YBEGLDIGSA-N 438.281 4.756 10 10 IJCE COC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S 40937969 RXLASBBCAZKQMI-LDADJPATSA-N 447.965 4.683 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 708090157 OHPMWLRVAWADTI-HUUCEWRRSA-N 445.785 4.734 10 10 IJCE CC(=O)N(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 785159320 CIEINWOQGJSHIN-UHFFFAOYSA-N 430.464 4.880 10 10 IJCE CC(=O)N(c1ccc(C)cc1)c1nc(CNCc2cc(Br)ccc2O)cs1 809713624 VBJXLXZLHDWZNM-UHFFFAOYSA-N 446.370 4.894 10 10 IJCE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865923111 OGEUENVAJAKTTR-JOCHJYFZSA-N 427.548 4.722 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(CNCc2ccc(Br)cc2O)CC1 2102872462 IZEFOOGUERBIBL-UHFFFAOYSA-N 427.383 4.575 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1cccc(Br)c1O 2127868352 FIMOCQNMXWVANC-INIZCTEOSA-N 427.383 4.670 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280350790 BMSUPZSABCUJRR-NSHDSACASA-N 445.142 4.710 10 10 IJCE COc1ccc(C=C2SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 2293618966 IPQZXDGDZSFZJQ-UHFFFAOYSA-N 429.545 4.641 10 10 IJCE CN(Cc1ccccc1)C(=O)CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297554655 OXLDVRURVCVMKK-UHFFFAOYSA-N 445.009 4.980 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c(O)c1Br 2352675541 HNPMCWHQAOFCPJ-NVXWUHKLSA-N 427.383 4.587 10 10 IJCE Cc1ccc(CNC(=O)c2scc(Br)c2Cl)c(O)c1Br 2380812686 YCSHDMTZNBBCRE-UHFFFAOYSA-N 439.556 4.871 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 13639267 VWLGXFIQUGPGQA-ABSDTBQOSA-N 427.342 4.652 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21)N1CCOCC1 14467484 CYINAFNUABUARQ-NVAPDCRFSA-N 445.346 4.998 10 10 IJCE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1cc(Cl)ccc1O)N2 65298078 VXEQNYAHKJLKLC-JOCHJYFZSA-N 425.960 4.525 10 10 IJCE biogenic CSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=N)N12 104372139 NMHNWTLICRVNFD-KBVRANJKSA-N 447.339 4.649 10 10 IJCE Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 108935361 IKXHIZIEUPEGLQ-OAHLLOKOSA-N 430.957 4.642 10 10 IJCE C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 248381621 UNKQYOQBZFDJBP-OAHLLOKOSA-N 430.298 4.744 10 10 IJCE CN(C)c1ccc(/C=C\c2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3o2)cc1Br 1084349155 RPTHUWRLYQCWBE-XQRVVYSFSA-N 433.218 4.643 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 1290324439 QPEIBGOJXZVMLE-UHFFFAOYSA-N 443.547 4.742 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F 1437303260 OCSZRFJKDPOUAQ-XFFZJAGNSA-N 427.220 4.692 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(C(F)(F)F)nc2c1 1860399032 AVAVBPZVGWTUNX-UHFFFAOYSA-N 436.345 4.874 10 10 IJCE CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccn3)N=C2CC)cc1OC 1865667574 DNLVVKOEMURQST-RVDMUPIBSA-N 444.329 4.838 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675506 LINBJIKHGFGYLF-HYARGMPZSA-N 428.488 4.548 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1 1865680484 MERGOLGENVDNJK-HYARGMPZSA-N 431.423 4.573 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(F)cc4C)cc3)CC2)cc1 1872873305 SHTKZXPPBQUKHG-UHFFFAOYSA-N 434.511 4.684 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(O)cc2)C1=O 1147198 KVRAWKTVWVOQJW-UULHFOEUSA-N 438.574 4.959 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccs2)SC1=S 15046600 OIEBDMNZNSBPLE-ADVUTCEVSA-N 442.509 4.995 10 10 IJCE CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 59386059 LGNKQOONTFJJBV-YWEYNIOJSA-N 431.704 4.750 10 10 IJCE CC1(C)C[C@@H](NCc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)C1 710460534 OWKJQOYJUPWYGP-INIZCTEOSA-N 427.383 4.670 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 781907852 JFEOQRCCPOPYTA-KRWDZBQOSA-N 428.273 4.638 10 10 IJCE CC(=O)c1ccc(N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 1533539890 PKDHRDAQNICLLJ-QGOAFFKASA-N 444.603 4.595 10 10 IJCE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858685013 XQMKJYNOPUMFBA-MRXNPFEDSA-N 434.496 4.552 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNCc2c(O)cccc2Br)C1 1966029852 PIDWMVAOPHWFLZ-AWEZNQCLSA-N 427.383 4.528 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CNc2cccc(Br)c2)C1=O 2297578521 LIDMAOGHHBUVMF-UHFFFAOYSA-N 435.368 4.729 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)C(=Cc4ccc(O)cc4)SC3=S)ccc21 2321718099 AYMCXJNVWAJTRG-UHFFFAOYSA-N 443.505 4.573 10 10 IJCE Cc1ccc(NCc2ccc(C)c(Br)c2O)cc1I 2352692076 IGQUMDKJJDJPRN-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N2CCc3ccccc3C2)cc1 16914206 LWZUZZZBZXEHFV-XMMPIXPASA-N 435.518 4.560 10 10 IJCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(Br)cnc1O 1623924597 KFQDPWQHIWJRFZ-AWEZNQCLSA-N 427.298 4.659 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2)sc(C)c1-c1ccccc1 1860747629 QLNGOYGOFSEXPQ-UHFFFAOYSA-N 426.469 4.617 10 10 IJCE Cc1ccc(Cn2nc(C(C)(C)C)c(I)c2C(F)(F)F)c(O)c1 2078998848 IYFTVFOTRZZFOL-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE CCC[C@@]1(NCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2101405913 QYAAYESLYMLKDP-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE CN1CCc2cc([C@H](N)c3cc(NC(=O)OC(C)(C)C)ccc3Br)ccc21 2163133730 PCLJUWFPWJLKPV-IBGZPJMESA-N 432.362 4.837 10 10 IJCE CN[C@H](C)c1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2182309918 TXJSCCDEUHZETF-QMMLZNLJSA-N 428.418 4.973 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)cc1 2321569886 OPIUCQUNQBPNNE-UHFFFAOYSA-N 438.530 4.759 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1ccc(OC(F)(F)F)cc1 2321734366 JVIDAMVJVNTCHP-UHFFFAOYSA-N 425.409 4.720 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C(O)=NC2=S)cc1 1216860 SRMFCIVXWYBWMY-PXLXIMEGSA-N 444.512 4.946 10 10 IJCE CC1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1 27515549 QNLAICGVPGOKTO-KGENOOAVSA-N 437.521 4.876 10 10 IJCE CSc1ccc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1 33248283 NYYOLJMVBBWTJA-GDNBJRDFSA-N 431.311 4.986 10 10 IJCE Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1Cl 38642774 BUYSUTJETYJLIR-AVRDEDQJSA-N 430.976 4.690 10 10 IJCE CCOc1ccc(NC=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 40869613 WQFASQAQEZEWEI-UHFFFAOYSA-N 427.460 4.581 10 10 IJCE CSC1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N12 104372253 DIQBNIVOACKGBW-GQZADCKHSA-N 429.958 4.687 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3C)c2)SC1=S 206843444 NSIYDILVSIXHAV-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CC[C@H](NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311993028 QJBOZRYLJIPZLE-KMFMINBZSA-N 427.383 4.889 10 10 IJCE Cc1c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 1084014063 AXNLVKZKNONRAE-XNTDXEJSSA-N 444.343 4.625 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1O 1191583128 ZFISQUBNIGSOJP-QGZVFWFLSA-N 429.948 4.590 10 10 IJCE Brc1cc(CN2CCO[C@H](Cc3ccccc3)C2)ccc1N1CCCCC1 1621204183 AWYGXOJMEFPAIW-OAQYLSRUSA-N 429.402 4.883 10 10 IJCE CN1CCN(c2ccc(N3C(=O)/C(=C\c4c(F)cccc4Cl)SC3=S)cc2)CC1 1860085521 PNLGZCHWBUUXCJ-CPNJWEJPSA-N 447.988 4.637 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C)c2)sc(C)c1-c1ccc(F)cc1 1860746851 HOQSSIGGXKXLBJ-UHFFFAOYSA-N 440.496 4.925 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(C)ccc(O)c3[nH]2)sc(C)c1-c1ccccc1 1866555603 LWTLIRGOYJMZPY-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2Br)cc1C 2080023806 DXBGMOMOMOPWMC-QGZVFWFLSA-N 434.378 4.754 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(CN=[N+]=[N-])CC2)cc1Br 2180964507 VJWVRAYJEPBTTG-UHFFFAOYSA-N 438.326 4.959 10 10 IJCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 2243927936 ANLUVAHXQPWUAL-GOSISDBHSA-N 447.539 4.854 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258759432 DRYWLOJJEBXJRK-ABAIWWIYSA-N 433.774 4.686 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1C 2295914179 HXPVXQCKYRPJCG-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S 2296882563 ZUUHKQXYGKTAMQ-HNNXBMFYSA-N 438.357 4.891 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C=Cc3ccc(OC(C)C)cc3)cc12 2297332731 VEBOURHXXLFZCO-UHFFFAOYSA-N 431.536 4.819 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)O)c(OC)c2)SC1=S 2314931685 HKPWTASFCPMFGZ-ZDUSSCGKSA-N 443.546 4.515 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323839244 WHRHDHLEUKZQJU-UHFFFAOYSA-N 445.423 4.911 10 10 IJCE CC[C@@]1(NCc2ccc(C)c(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2352695306 XRNZKCFEUBTJDT-HXUWFJFHSA-N 427.383 4.732 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccccc1 15043684 CKTLZCLWJPRTNZ-CYVLTUHYSA-N 426.563 4.793 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 33921610 ZUUHKQXYGKTAMQ-BMANGOCTSA-N 438.357 4.891 10 10 IJCE COc1cccc(-c2nn(C(C)(C)C)cc2CN(C)c2cc(OC)c(OC)c(OC)c2)c1 780773998 FTYUIDOOFAWKKS-UHFFFAOYSA-N 439.556 4.976 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1O 1473116363 IEYRIOQVHISWLD-UHFFFAOYSA-N 441.742 4.513 10 10 IJCE Cc1cccc(-c2nc3c(c(=Nc4cccc5c4C(=O)c4ccccc4C5=O)[nH]2)CCC3)c1 1859832697 HRCDQYWBFITOSW-UHFFFAOYSA-N 431.495 4.882 10 10 IJCE CCOc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OCC 1871278927 BJIDMGKJJWHMBW-FYWRMAATSA-N 441.483 4.911 10 10 IJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C1CC1 2079636547 KYQYCNCKECJLJY-UHFFFAOYSA-N 436.215 4.700 10 10 IJCE C[C@H]1C[C@H](N(C)c2ccc(C=CC(=O)O)cc2Br)CN1Cc1ccccc1 2154834315 WTOGJLJKVHPORH-LPHOPBHVSA-N 429.358 4.646 10 10 IJCE CSC1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N12 2297333699 DIQBNIVOACKGBW-UHFFFAOYSA-N 429.958 4.687 10 10 IJCE CN1C(=O)C(=Cc2ccc(OCCOc3cccc(C(F)(F)F)c3)cc2)SC1=S 2297358626 GVJSNOSCOWPTID-UHFFFAOYSA-N 439.480 4.994 10 10 IJCE O=C1NC(=S)SC1=Cc1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 2297563437 PTEBZDPUWVVWQU-UHFFFAOYSA-N 443.453 4.649 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=Cc3cc(OC)c(OC)cc3OC)C2=O)cc1 2332140960 AETMGLANMVOLQQ-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE Cc1ccc(CN[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c(O)c1Br 2352951284 FNANXYACICZDMV-FQEVSTJZSA-N 429.399 4.882 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2c(O)ccc4ccccc24)[C@@H]2CC=C[C@@H]32)CC1 20751996 ADJPMOFSTCQLPS-ZIHSNCGMSA-N 439.559 4.760 10 10 IJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 33343659 BJNJUMDPLDXLBZ-UYRXBGFRSA-N 446.415 4.550 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F 102855614 NWGFTHVRPIGIRM-GXDHUFHOSA-N 442.509 4.997 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715029266 SERSDGCPOFLTKO-BOCKYXSRSA-N 428.418 4.960 10 10 IJCE O=C1C[C@H](N2CCC3(CCOCC3)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 790588088 BLKNYANVKRWEPG-QFIPXVFZSA-N 432.524 4.627 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)ccc1OCc1ccccc1 1865669800 VLJPEHSOCZEASD-XQNSMLJCSA-N 442.515 4.933 10 10 IJCE CCOc1c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cccc1OC 1865670172 MJXHRVJHTIJBGB-OQKWZONESA-N 428.488 4.937 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNCc2ccc(Br)cc2O)C1 1967844238 TUYAPKKQISTIPA-HNNXBMFYSA-N 427.383 4.528 10 10 IJCE Nc1cccc(Br)c1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 1999119062 RINHDWYKJSSBTG-ATZDWAIDSA-N 430.346 4.633 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2080026942 ZYBLKEWQXKBVHG-KRWDZBQOSA-N 434.378 4.754 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1nc(-c2ccccc2)cs1 2296885193 HYJRIKMUIUBASY-UHFFFAOYSA-N 441.559 4.633 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1 2297468378 IRGFEQIVGWFSSK-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)c1OC(C)C 2297592742 JGVYTLBZTBRLIG-UHFFFAOYSA-N 428.872 4.640 10 10 IJCE CCCCOc1ccc(C=C2SC(N(C)c3ccccc3C(=O)O)=NC2=O)cc1OC 2314556910 BNKXWCLGFKCBBP-UHFFFAOYSA-N 440.521 4.679 10 10 IJCE COc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1O 2332100005 BAQMHCFZLVDODJ-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332107166 VUKCKVVHGJHGQP-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE Cc1ccc(CN[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1Br 2352693640 QLFSNJRPUWUJRH-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE CCOc1ccc(O)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687734699 RTQCWCRJCLYKQG-QHCPKHFHSA-N 447.487 4.845 10 10 IJCE Cc1ccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687810215 UPKGZVQRXZPLOY-SANMLTNESA-N 431.488 4.929 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058965 SIPROZNIZAWARD-UCNVEGJOSA-N 429.402 4.993 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)c2C)C1=O 1297782539 MRGGMABATHTYMF-UHFFFAOYSA-N 444.535 4.752 10 10 IJCE Cc1cc(Cl)ccc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860715661 RHSSCEGLZDLGKN-UHFFFAOYSA-N 432.145 4.888 10 10 IJCE CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 1865668459 YYXHKIHHJUTOEK-MHWRWJLKSA-N 445.313 4.671 10 10 IJCE CCc1sc(NC(=O)CCOC)c(C(=O)OC)c1-c1ccc(Br)cc1 1866030413 WHEBGCZGNNPMAO-UHFFFAOYSA-N 426.332 4.502 10 10 IJCE CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179705 LPUITJLALYMQOP-UHFFFAOYSA-N 427.485 4.524 10 10 IJCE CCN(c1ccc(C=CC(=O)O)cc1Br)[C@H]1CCN(Cc2ccccc2)C1 1915041302 LDHDEFHPQBBIJX-IBGZPJMESA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2ccc(Br)cc2O)C1 1967844239 TUYAPKKQISTIPA-OAHLLOKOSA-N 427.383 4.528 10 10 IJCE CCCN[C@@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2029555395 IYRSXPWZEQBUNA-OZXSUGGESA-N 439.600 4.602 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079993915 ZFCMMWOJXCZNPH-KRWDZBQOSA-N 437.334 4.659 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2180959024 ACSQZDVSABOKFW-LBPRGKRZSA-N 438.326 4.959 10 10 IJCE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2243917304 RDEJKPNILOPRFE-KRWDZBQOSA-N 447.539 4.995 10 10 IJCE COc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2296881389 FCOGGEYVKGCVIC-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296930561 WNFKCNDBNWAEIQ-LJQANCHMSA-N 449.510 4.913 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 2314765144 VWVXHIXSDPYGNB-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2314831998 XKUCPRUDUAFBCO-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)c(O)c1Br 2381128268 RGMDWAOYEJZEMZ-INIZCTEOSA-N 439.394 4.732 10 10 IJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@@H](C)C(C)(C)C)c4ccccc4n3)CC2)cc1 23335532 SAHHGANZDJIWAX-IBGZPJMESA-N 446.595 4.734 10 10 IJCE Cc1ccc(C)c(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)c1 27572526 ZQQYZGQBBFAKOM-JRCZNVDKSA-N 433.533 4.928 10 10 IJCE CC[C@]1(c2ccc(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)cc2)CCC(=O)NC1=O 108871484 GAPBVAUBLSRDSX-AREMUKBSSA-N 447.510 4.570 10 10 IJCE CC(C)(C)OC(=O)NC[C@](C)(NCc1cc(Cl)cc(Br)c1O)C1CC1 708073626 TVWBENMDDHDRTR-SFHVURJKSA-N 433.774 4.591 10 10 IJCE COC(=O)c1c(NC(=O)c2nnn(C)c2C)sc(C)c1-c1ccc(Cl)cc1Cl 741531667 DBHQZQHMTPZDKJ-UHFFFAOYSA-N 439.324 4.506 10 10 IJCE CCN(C(=O)/C=C\c1cncc(C)c1)c1cccc(NC(=O)/C=C/c2cncc(C)c2)c1 772063482 IHFUMXTYSFZEBA-GOOGBFEESA-N 426.520 4.812 10 10 IJCE Brc1cc(CNc2cnn(Cc3ccncc3)c2)ccc1N1CCCCC1 1461141730 ZDOCFAFSJFIQHF-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1626722828 KJBUGGWNPMRKMQ-CQSZACIVSA-N 431.458 4.695 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(CCOc3ccc(OC)cc3)C2=O)c1 1858587084 MZZHLWDDHKZHFW-HMMYKYKNSA-N 429.563 4.764 10 10 IJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cnn1-c1ccc(Cl)cc1 1859616388 FBADQFCZQWDXQN-UHFFFAOYSA-N 441.874 4.862 10 10 IJCE CC[C@@H](N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2044403930 BMFFTCCSZDMBLT-DENIHFKCSA-N 447.373 4.997 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC(C)(C)C2)c(Br)c1 2150467846 UTPHDUFXBNOIPE-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE OCc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2164879954 LXPBJNHUCSQQJV-UHFFFAOYSA-N 439.344 4.679 10 10 IJCE CCOC(=O)c1cc(C)n(-c2ccc(Br)cc2I)c1C 2240305552 KGNLNLQVKASNNU-UHFFFAOYSA-N 448.098 4.638 10 10 IJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1 2296394109 XMWJHYJOTAMWAD-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1 2297296483 CBBRIARKKGZHQX-UHFFFAOYSA-N 448.906 4.697 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)C(=Cc4ccccc4)SC3=S)ccc21 2321718149 KTGIUDPYLPCLJK-UHFFFAOYSA-N 427.506 4.868 10 10 IJCE CC(C)N(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 2329521049 YSXOKEYTRXOQMI-UHFFFAOYSA-N 440.455 4.825 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15047488 BMMUCTNDIJPWGX-VXRKGKCKSA-N 438.574 4.870 10 10 IJCE CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850193 IXELLRSMHGEUBP-NDENLUEZSA-N 449.557 4.879 10 10 IJCE C[C@](Nc1ccccc1Br)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094005 JPFZQDYZBDYGTH-JOCHJYFZSA-N 425.326 4.841 10 10 IJCE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1ccc(Br)cc1O 691392124 ODKFEPMMRHHEFQ-VLIAUNLRSA-N 427.383 4.718 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705958235 RAMARHFALHFQCC-YSIASYRMSA-N 428.418 4.688 10 10 IJCE COc1cc(N(C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc(OC)c1OC 780774191 HKARSYZXGNTAQP-UHFFFAOYSA-N 430.508 4.597 10 10 IJCE CCCCN(Cc1ccccc1O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 802026552 GMJPHJIRXUPXNQ-UHFFFAOYSA-N 440.584 4.769 10 10 IJCE COc1cnc([C@@H]2CCCN2C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)nc1O 1558703701 WTOHFYBKLNCPBH-NRFANRHFSA-N 434.540 4.699 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1860087115 ATISIMRSDFLQPQ-VGOFMYFVSA-N 448.982 4.722 10 10 IJCE CCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1Cc1ccccc1 1861849188 JYBXENYGTMWMOJ-UHFFFAOYSA-N 435.483 4.522 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(NCc2cc(Br)ccc2O)cc1F 2089379084 AZPSQOATGWVIAM-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC[C@H](NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104676084 KQIAEEFBLSQYHR-OXJNMPFZSA-N 427.383 4.843 10 10 IJCE CN[C@@H](C)c1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2153347698 MLDLTJKVVOVJHE-SFHVURJKSA-N 428.418 4.974 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1)c1cc(Br)ccc1O 2196384479 XGWZOJARCBYVJO-SCTDSRPQSA-N 439.394 4.983 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1O 2313513797 LAFYDLKBZWAKHN-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 2323882455 YRTKZOSJEHKCEQ-IBGZPJMESA-N 439.562 4.633 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1Br 2380812339 UPKFFLRIRNONKE-INIZCTEOSA-N 439.394 4.875 10 10 IJCE CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1=O 8644673 QFIQMTWVFKAUIW-SANMLTNESA-N 447.510 4.582 10 10 IJCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@H]21 14478039 BWYMFACPNALWJW-IXFSTUDKSA-N 439.537 4.596 10 10 IJCE C[C@@H]1CCN(c2ccc(CNC3CC3)cc2Br)CCN1Cc1ccccc1 382778529 JSUAECFJGIDZQR-GOSISDBHSA-N 428.418 4.802 10 10 IJCE O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1Cc1ccc(OC(F)(F)F)cc1 743284012 HONILXDVBOWSRO-SXGWCWSVSA-N 435.452 4.634 10 10 IJCE CCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871105324 MZVICVGQZGWLRT-UHFFFAOYSA-N 443.551 4.959 10 10 IJCE Cc1cc(O)c([C@@H](C)n2nc(C(C)(C)C)c(C=O)c2I)cc1C 2080022689 NSCSNPXMHDHQPR-GFCCVEGCSA-N 426.298 4.529 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3cccc(Br)c3O)[C@H]1CC2 2097863341 ISDMCYIQTVQRTM-USXIJHARSA-N 425.367 4.565 10 10 IJCE Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)c1 2313558843 LEEQMLSZUNNWNP-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(CCc2c[nH]c3ccccc23)C1=O 2321618019 LGJCQNXZCGVVCG-UHFFFAOYSA-N 438.603 4.938 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)c(O)c1Br 2381130766 DMUVCAFDSVYOES-IAGOWNOFSA-N 441.410 4.834 10 10 IJCE Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 10913094 DXPKDUMCTSPMEN-MHZLTWQESA-N 438.527 4.798 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 14469553 QLCIFXRDEDEWDD-HWBMXIPRSA-N 432.545 4.740 10 10 IJCE COCCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1 54620289 VNTRVNSKWREWED-HSZRJFAPSA-N 443.503 4.649 10 10 IJCE CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O1 59644075 RFEDHCPJXICSEU-UHFFFAOYSA-N 439.807 4.865 10 10 IJCE C[C@H](Nc1ccc(Br)c(I)c1)c1ccc(O)cc1O 388673101 QEJPNJIMAFWMPN-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cccc1N(C)C 775988285 KXTJJWBVCKPPOX-AQTBWJFISA-N 445.635 4.743 10 10 IJCE Brc1cccc2c(CNCc3ccc(N4CCSCC4)cc3)ccnc12 1648826379 DDMASMUXJIMHBM-UHFFFAOYSA-N 428.399 4.840 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658826 SZLGLADPJMOABZ-PXLXIMEGSA-N 428.488 4.548 10 10 IJCE CCCN(CCC)c1ccc(C=C(Cl)c2nc(=O)c3ccc(C(=O)O)cc3[nH]2)cc1 2040454205 LJNNFJZLFKTAMN-UHFFFAOYSA-N 425.916 4.985 10 10 IJCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 2107377431 ISSMAYKAHQUBJF-LRDDRELGSA-N 447.801 4.933 10 10 IJCE CN(C[C@@H](O)c1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2169720677 POAGOCCVFUMDJI-LJQANCHMSA-N 435.362 4.644 10 10 IJCE CC(C)(C)OC(=O)NCC1(F)CCC(CNCc2c(O)cccc2Br)CC1 2178641049 TZRGQVZJQUTVFG-UHFFFAOYSA-N 445.373 4.668 10 10 IJCE CC[C@@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271311456 KLULFBJSINEXEC-KBRIMQKVSA-N 427.383 4.983 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)c1 2294005005 JMONDZPBRDIEFX-UHFFFAOYSA-N 444.462 4.688 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 2313683252 VPPZGYPAZZEZQB-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c(OC)cc1Cl 2321629415 FTRJORZAUYLFOE-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)c1 2321734619 JTIGBQJTHGXFQF-UHFFFAOYSA-N 440.590 4.718 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 15040045 ZWBWYXXRBCQBLC-RGEXLXHISA-N 444.553 4.845 10 10 IJCE CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCCC(=O)O 210468967 NGAIHTNYHINOHO-MOSHPQCFSA-N 440.521 4.638 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526291805 NLXPNKKKUBTAJS-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE CC[C@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708193340 VHRDIYGKAJBIDA-CABCVRRESA-N 433.774 4.686 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 745808696 FYUZPEGEMGXAPM-LJQANCHMSA-N 445.604 4.884 10 10 IJCE COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1 788047806 MPBZASFUDFTHDS-UHFFFAOYSA-N 444.538 4.863 10 10 IJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873169869 ZXEACRKNAHQRQD-UHFFFAOYSA-N 441.575 4.989 10 10 IJCE CC1(NC(=O)OC(C)(C)C)CCC(NCc2cc(Br)cc(F)c2O)CC1 1924771441 SKGKUAQWSLBVCX-UHFFFAOYSA-N 431.346 4.609 10 10 IJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C(C)C 2079599036 OHBZVKCNXQEOFI-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12 2295927495 XXPQEDFHROKYKW-UHFFFAOYSA-N 438.458 4.837 10 10 IJCE N=C1C(=Cc2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 2297348181 PTDOGEVQIWJLOE-UHFFFAOYSA-N 434.502 4.832 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c1 2321717859 WSIUNHUVRYLSBE-UHFFFAOYSA-N 442.518 4.958 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(C[C@H](c2ccccc2)N2CCCC2)C1=O 2323886717 PIQMIUMCBSYSCG-HXUWFJFHSA-N 448.617 4.681 10 10 IJCE Cc1ccc(CNC[C@H]2CCCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352933053 VODBTIKNVDYYQV-MRXNPFEDSA-N 427.383 4.732 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Br 2352946554 AQGISYRTWFFNDY-SQWLQELKSA-N 427.383 4.587 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 13639357 OXTIJWWYIAXWHY-JQVVWYNYSA-N 439.353 4.748 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 33424334 SNDSYQXEZGSKRY-ZBYPTGCXSA-N 448.548 4.954 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccc3noc(-c4cccc5ccccc45)c3c2)SC1=S 209918401 UBYBUGCGVOINAV-ODLFYWEKSA-N 446.509 4.934 10 10 IJCE CC[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 387878778 ZSKDAVYYPOTIGB-YOEHRIQHSA-N 427.383 4.843 10 10 IJCE Cc1ccc(-c2cnc(CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)o2)cc1 1859707589 VDHSXPTZZUMTJY-UHFFFAOYSA-N 436.467 4.997 10 10 IJCE CCc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860345002 MOEKYHCAKMIDPD-UHFFFAOYSA-N 448.526 4.775 10 10 IJCE Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2cccc(C)c2n1 1866271739 RXZBAEQQIJHFGC-RUZDIDTESA-N 430.596 4.875 10 10 IJCE Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178972 DUIQWCGNMVCCIT-UHFFFAOYSA-N 425.469 4.541 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]12)c1cc(Br)ccc1O 1925998304 ZXIOHTOOGCNNNI-SPUZQDLCSA-N 439.394 4.983 10 10 IJCE O=C(N[C@]1(c2c(O)cccc2Cl)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952829942 QXGRLIOMIHNSDG-KBMIEXCESA-N 449.890 4.884 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNCc2cc(Br)ccc2O)C1 2151664747 BJEODDNJIBPYMW-INIZCTEOSA-N 439.394 4.672 10 10 IJCE COCCCCN(Cc1ccccc1)c1ccc(CNCCOC)cc1Br 2152206170 OSBFRCZJIDDLLR-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE CC(NCCc1cccs1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313683233 VFEQIGCOVBOUGO-UHFFFAOYSA-N 432.505 4.514 10 10 IJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(C4CCCC4)C3=O)o2)cc1 2314432759 GANOMOMAKKKCRQ-UHFFFAOYSA-N 434.564 4.969 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 2314766588 BCGQXFAIESMGCL-IBGZPJMESA-N 427.547 4.893 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccccc3O[C@@H](CC)C(=O)O)SC2=S)cc1 2314933357 VJYZEEROJKNLKN-KRWDZBQOSA-N 443.546 4.733 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2321743435 ATISIMRSDFLQPQ-UHFFFAOYSA-N 448.982 4.722 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)C[C@@H]2CCC[C@H]21 2360209344 BJSHQSVNVYLTQE-YLQAJVPDSA-N 443.357 4.562 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)SC1=S 1416024 VVAMWDXTVMNAHS-NDENLUEZSA-N 435.526 4.705 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638854 PGLHIPQGTYVVLQ-UEXGIBASSA-N 447.398 4.962 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccccc3F)=NN12 20210727 BNMMFDFXQUAWMC-NHJURWSASA-N 449.898 4.937 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccccc2OC(F)F)cc1 58513358 GEVFDQXPTNSEQS-KVDXNUTJSA-N 430.495 4.575 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)cc1O 687742958 XFXMTLXHQSYAEF-OAQYLSRUSA-N 439.414 4.725 10 10 IJCE COc1cccc(O)c1[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687743547 OVSCCIAARBIDHT-SANMLTNESA-N 447.487 4.629 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(F)c(C)c1 1857996858 KJXNBEUCFNTVEQ-UHFFFAOYSA-N 447.463 4.558 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Br)c2O)[C@H]1C(C)(C)C 1877308252 WXGBOOGGQQXPTP-WBVHZDCISA-N 427.383 4.668 10 10 IJCE C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1O 1952009130 JJQHVIJHHSNUOC-RUZDIDTESA-N 435.476 4.588 10 10 IJCE O=C1OC(c2ccc(C(F)(F)F)cc2)=NC1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 2053525510 DLMUIKMHALDLTF-UHFFFAOYSA-N 431.370 4.558 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(CN)c2I)cc1C 2079972252 RWZVIGCCHRVARX-SFHVURJKSA-N 441.357 4.638 10 10 IJCE CC[C@H](NC1CC(CCNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2090001284 LNLSJWQULPKZAD-PGEKIEPBSA-N 427.383 4.889 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cc(Cl)cc(Cl)c1 2296807610 CXYIZWNPGBQSMM-UHFFFAOYSA-N 429.375 4.895 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1cccc(C)c1C 2297347330 LHSUCCLZLCIWDX-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)c1 2297499878 IASRCAMWJCXPSB-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 2323882457 YRTKZOSJEHKCEQ-LJQANCHMSA-N 439.562 4.633 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1 2332139876 BOSUDJFGPSGTRK-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE Cc1ccc(CN[C@@]2(C(C)C)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380794612 BXLCDRBVIBUWIE-NRFANRHFSA-N 441.410 4.978 10 10 IJCE O=C1/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC(=S)N1Cc1ccco1 1317896 VFDPJBCUFLUEOB-FMQUCBEESA-N 432.526 4.598 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]2CC=C[C@H]32)CC1 14476002 IOEGDKLRBYRHNF-VUMVONDWSA-N 433.508 4.999 10 10 IJCE COc1cccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c1 20071341 SOZUXTOOUCMDTD-SQJMNOBHSA-N 432.476 4.660 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccc(C)cc3)cc2)SC1=S 27531657 HADYNTRILZRHBU-LTGZKZEYSA-N 443.590 4.691 10 10 IJCE CC[C@H](C1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 96484505 SVWISZBRWILCKY-GFIVJHBPSA-N 442.500 4.606 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)c1OC 526204077 RLWMQOHOCIMQGQ-QHCPKHFHSA-N 448.494 4.966 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526543662 WZZTUAYKXYAETH-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1ccc(I)c(Br)c1 701386687 MSTXZZIAPXOOAY-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Br)ccc2Br)c1 729036590 DLBPEDCBAGTLLW-VIFPVBQESA-N 444.123 4.809 10 10 IJCE CCOc1ccc(OCC)c(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)c1 729688154 YBYBRKFYXFHEKT-ODLFYWEKSA-N 425.535 4.538 10 10 IJCE O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 741395873 PEKPDWDIGNCIRF-UHFFFAOYSA-N 427.430 4.589 10 10 IJCE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)c1 778913950 HIXQWYKDJQPFSL-IQGLISFBSA-N 449.547 4.917 10 10 IJCE CC(C)Oc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1 1857991711 IGTVFZDXXMYICW-UHFFFAOYSA-N 449.576 4.975 10 10 IJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1OCC 1858589018 DEVVHSYXPRBMFQ-XSFVSMFZSA-N 429.563 4.634 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(O)nc2)sc(C)c1-c1ccc(Br)cc1 1865973587 RGOWJQGSIALPPY-UHFFFAOYSA-N 447.310 4.626 10 10 IJCE COCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419807 ASKYEEUAEUIIKE-UHFFFAOYSA-N 443.547 4.549 10 10 IJCE C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2103298968 GYTVLYYEDQSZHI-DOMZBBRYSA-N 447.801 4.933 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163307345 RENNPPUBQUQOHO-MBSDFSHPSA-N 429.402 4.995 10 10 IJCE CCCN1C(=O)C(=C2SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21 2296711321 MQGFJPYREDCVNT-SNVBAGLBSA-N 439.400 4.576 10 10 IJCE O=C1C(=Cc2ccc(N3CCOCC3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 2297559084 LEBWAXCZUMAGOQ-UHFFFAOYSA-N 440.468 4.541 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CNc2ccc(Br)cc2)C1=O 2297578526 MEMBMPQPXYYZSX-UHFFFAOYSA-N 435.368 4.729 10 10 IJCE O=C(NN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S)c1ccccc1 2314764578 GWLQXOQQOKJZSY-UHFFFAOYSA-N 446.553 4.812 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC)c2)SC1=S 2314766526 AJPXIURVAZHSLD-LJQANCHMSA-N 427.547 4.591 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(Br)cc2)cc1 2332147585 MAVITYYCIFZKAO-UHFFFAOYSA-N 434.293 4.687 10 10 IJCE Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 23064798 UZDZJOLJRGZSRR-UHFFFAOYSA-N 431.439 4.767 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 33293742 WFKYPGDNSWJXCV-OVCLIPMQSA-N 439.345 4.548 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=S)N=C2O)c(C)c1 33321839 XHNKCFUYMWLRBF-YBEGLDIGSA-N 445.338 4.746 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2ccc(C(C)=O)cc2)cc1 98071246 FKGKLZQDBNOEBL-UHFFFAOYSA-N 432.520 4.576 10 10 IJCE O[C@H](CNc1ccccc1OCc1ccccc1)COc1cccc(Br)c1 313670475 NFTKSFVEUDLRTF-LJQANCHMSA-N 428.326 4.880 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865672139 NBDRCRQTVLGQLI-GZTJUZNOSA-N 445.313 4.758 10 10 IJCE Cc1ccc([C@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079064427 ZKKMKLJXKJDTNG-AWEZNQCLSA-N 446.235 4.641 10 10 IJCE C[C@@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115922409 HISKEIUGZQYMIQ-OLZOCXBDSA-N 447.801 4.791 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1Br 2160684105 UKBLBIDMVZPBLB-LMNJBCLMSA-N 428.418 4.830 10 10 IJCE NCc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2164877646 AQLBKLYRJHRTOE-UHFFFAOYSA-N 438.360 4.646 10 10 IJCE COc1ccc(Br)c(CNCC2(C)CCN(Cc3ccccc3)CC2)c1O 2236055464 PZKFGRZFMMLYNG-UHFFFAOYSA-N 433.390 4.555 10 10 IJCE COc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1 2297302834 VSOSJUHDGNATRH-UHFFFAOYSA-N 442.471 4.779 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2297554549 FYTXPOGXGSDZKC-KRWDZBQOSA-N 447.965 4.983 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)ccc1OC(=O)c1ccccc1 2332133847 IXLRSNJJOIEKEN-UHFFFAOYSA-N 444.462 4.855 10 10 IJCE O=C(O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 16906434 LAAVOMAQZZALII-VIZOYTHASA-N 440.329 4.863 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)O 16915712 ILLFLRQTCJAGLA-XDHOZWIPSA-N 443.546 4.517 10 10 IJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)o2)cc1 33317037 AVHQGNVMOGYTMF-MOSHPQCFSA-N 444.443 4.857 10 10 IJCE CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 33587976 PNELRSVGGWITJH-CJLVFECKSA-N 440.455 4.975 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(c3cccnc3)=NN12 97492638 XMRWQYPKZPBZBJ-HTYYESGYSA-N 433.880 4.662 10 10 IJCE N=C1/C(=C\c2ccc(Br)cc2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12 102464907 PZFUVHGECZCSTN-WKWHHHHXSA-N 428.286 4.892 10 10 IJCE CCCNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1Br 323659749 UCZYAXKFSQOUIT-LJQANCHMSA-N 430.434 4.907 10 10 IJCE CCCCNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586704029 KGKSWAHRMZFGBS-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1 1858055206 DZPPWQYTNRHHLA-UHFFFAOYSA-N 430.913 4.554 10 10 IJCE CC[C@@H](C)N(C(=O)Cc1ccc(OC)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910712 MGCWQJZNRFINNT-QGZVFWFLSA-N 427.500 4.845 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1OC 1860085274 ALFVLHGTHUUOSJ-CXUHLZMHSA-N 436.352 4.872 10 10 IJCE CCCOc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 1860085694 UUDPZKKSAUWJKZ-CPNJWEJPSA-N 445.562 4.907 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(F)c2)sc(C)c1-c1ccc(F)cc1 1860747173 XUZBWIXIQYZFBV-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc(Br)c1O 1865667414 VNCSYDOOSVRTOP-GIJQJNRQSA-N 443.341 4.972 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)c1nscc1Br 2130110656 UKWVXWRAUJJBCB-ZCFIWIBFSA-N 426.561 4.878 10 10 IJCE Oc1cccc2c1[C@H](Nc1ccc(Br)cc1I)CC2 2231665873 ZJEXIPFQQNIUKX-CYBMUJFWSA-N 430.083 4.859 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCSCc1cccc(F)c1 2297559625 WZQPEOACBVGRND-UHFFFAOYSA-N 449.594 4.978 10 10 IJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S 2314769232 OVIBWUWKDSGMAF-LJQANCHMSA-N 427.547 4.589 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)NCc2ccccc2)C1=O 2314831974 WSIWZORTGJLTJK-UHFFFAOYSA-N 436.602 4.931 10 10 IJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccccc2)SC1=S 2314836661 ICRRPUCNDIXCIH-GFCCVEGCSA-N 436.480 4.934 10 10 IJCE Cc1ccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(O)c1Br 2381126818 BTIKEPSDJJUFGD-CQSZACIVSA-N 449.336 4.540 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131999 UYVBNSIWWWRPHV-MWQQHZPXSA-N 439.394 4.635 10 10 IJCE Cc1cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c(C)n1-c1ccccc1Cl 15673786 GAGUDJSOTOMCFK-UHFFFAOYSA-N 426.885 4.680 10 10 IJCE COc1ccc([C@@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 20032766 BWDPGOIBGARJQY-OAQYLSRUSA-N 435.480 4.643 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 21042689 NEJJLVIQOGLGBY-RUZDIDTESA-N 433.983 4.869 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3cc(OC)ccc3OC)C2=O)cc1 205950163 KAGNMHZIOWKCTF-JJIBRWJFSA-N 443.503 4.849 10 10 IJCE CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1083940535 KVHCEGAHPAMALE-ZHZULCJRSA-N 447.535 4.627 10 10 IJCE CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1319852590 XLNTVBKENABXMY-FQEVSTJZSA-N 434.964 4.614 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 1477047735 IVJGFGRYZMSOCH-QGZVFWFLSA-N 431.483 4.898 10 10 IJCE CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858589200 KKQISQRLOVOBDT-TVNWYLLRSA-N 427.547 4.576 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCCCC2)sc(C)c1-c1ccc(F)cc1 1860759245 QDBXRBPEWWMWOW-UHFFFAOYSA-N 446.544 4.817 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC(NCc3cc(Cl)cc(Br)c3O)C2)C1 1917736140 VKBIZIVNKJDTIE-UHFFFAOYSA-N 445.785 4.687 10 10 IJCE CCCN[C@@H](c1ccccc1O)c1cc(I)ccc1Br 2146247972 FDABIDTYVMEWRO-INIZCTEOSA-N 446.126 4.848 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 2293917307 ZXICIMVIHFDEKO-UHFFFAOYSA-N 432.501 4.569 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2296882321 OVYYRYHHJOKZHZ-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2c1C(=O)c1ccccc1C2=O 2297321439 FETWZXOUMJVCKK-UHFFFAOYSA-N 441.874 4.834 10 10 IJCE Cc1ccc(CNC[C@H](F)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2381141583 BHFAMOGOIZNVLH-INIZCTEOSA-N 445.373 4.538 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2nccs2)C1=O 1148340 LADVBHYUTGYQCV-NLFRITJFSA-N 429.592 4.710 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)c1 15039282 WQSVRECKWQHMDB-PDGQHHTCSA-N 446.981 4.974 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(-c3cccnc3)on2)cc1 303502009 NGKDGNSKFOBCDG-UHFFFAOYSA-N 428.492 4.658 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526215363 ULNGNUKYNOSGRR-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 708203718 IPZRPSPZXJQDHM-GFCCVEGCSA-N 447.801 4.933 10 10 IJCE Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742805554 LOAFXKJYDDJHIQ-KRWDZBQOSA-N 445.441 4.789 10 10 IJCE CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(NC(=O)/C=C\c2ccc(C)nc2)cc1 777861041 MKGXAZCYDMKEEX-CKOAPEAFSA-N 426.520 4.812 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)c1O 1197621332 GVTFZEUHPSYAKU-HSQYWUDLSA-N 427.928 4.735 10 10 IJCE C/C(=C/c1ccccc1C(F)(F)F)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 1461761117 WFXAYWIENFBHOC-VKAVYKQESA-N 431.502 4.600 10 10 IJCE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684957 VSNJMPMNXOTWNM-CQSZACIVSA-N 440.887 4.643 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)ccc1OC 1860085444 LQAUOGOQQXHOBA-YBFXNURJSA-N 431.535 4.517 10 10 IJCE CCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421736 OHLWHYMYVXAHHR-UHFFFAOYSA-N 442.563 4.762 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)cc1 1891981105 YCQBTIHHQNJHDX-UHFFFAOYSA-N 425.326 4.573 10 10 IJCE Cc1c(C2(C)CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079797994 UWIICXUQDOHCCL-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3ccc(Br)cc3O)CCC[C@@H]12 2098312667 PEBNMXCGUVWCFJ-XLIONFOSSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(CNCc2cc(Br)ccc2O)CC1 2102874261 XQDDXQPCPCNPPV-UHFFFAOYSA-N 427.383 4.575 10 10 IJCE CCNCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2182309409 LIPVMVFAZYCDJT-SFTDATJTSA-N 428.418 4.802 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(CNC2CCC2)c(Br)c1 2239982247 XKIQKLGMDVFVGN-GOSISDBHSA-N 428.418 4.802 10 10 IJCE O=C(O)c1cccc(N2C(=O)C(=Cc3ccc4cccc(Cl)c4n3)SC2=S)c1 2296595863 LWLHFMGTVKYVAO-UHFFFAOYSA-N 426.906 4.992 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccc(Cl)c(Cl)c1 2296885447 VKWCORGQPXYDKL-UHFFFAOYSA-N 427.334 4.816 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1OC 2321718223 GFOBUJFIKYVNCK-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1Br 2352940714 HJZFQLHUOCLYKH-CABCVRRESA-N 427.383 4.588 10 10 IJCE COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)c1 20071122 WONHHMLATAJLGC-HFZDXXHNSA-N 446.503 4.969 10 10 IJCE COCCOC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1 54620297 JIWSONKKHZQFOQ-QHCPKHFHSA-N 443.503 4.649 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccco4)S3)[C@@H](c3ccccc3O)C2)cc1 206362050 RNXFMHYAYRSJJF-CCULFSDZSA-N 445.500 4.815 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705965225 DHYFNECWCYTZEU-ZQMYSKGWSA-N 428.418 4.817 10 10 IJCE C[C@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 708073300 NVJHUONTELBKII-XHDPSFHLSA-N 433.774 4.686 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708075022 FZYHQFSBRLUBPO-IUODEOHRSA-N 447.801 4.981 10 10 IJCE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708077239 QFKSLXZDDQKEFP-GOSISDBHSA-N 435.790 4.837 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 1084638929 AVXWIWXHATXWJS-JCMHNJIXSA-N 426.472 4.549 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1O 1192937783 BWJPMIXCZWTOAC-UHFFFAOYSA-N 436.339 4.560 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ncc(Br)s1 1459461131 AEVJWYAWALZUMA-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cnn1-c1cccc(Cl)c1 1859616374 DCIYBEVCGWGGJK-UHFFFAOYSA-N 441.874 4.862 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865673239 XAHBPGVAFPVFLL-CJLVFECKSA-N 428.488 4.543 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccc(C)cc2)N=C1c1ccccc1 1865678504 PNZGOKNLZMZFOM-HMAPJEAMSA-N 442.515 4.851 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873164787 RVADTUVLEVHCJH-UHFFFAOYSA-N 441.575 4.806 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 1891486655 GVNMBEVYOWQMPT-ONTIZHBOSA-N 446.620 4.818 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079017107 XPYJPNMRYSAQDN-KRWDZBQOSA-N 433.346 4.887 10 10 IJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080053308 HVEHTDIRUSIDFU-INIZCTEOSA-N 439.350 4.991 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148939115 OIXADVREVDFAHX-IHPCNDPISA-N 428.418 4.817 10 10 IJCE CC[C@H](NCC1CC2(CCN2C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2161582095 OJYURPIAFBUDEP-XZSJUEPFSA-N 439.394 4.985 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163333850 JVHCRLCWLHKIQU-MBSDFSHPSA-N 428.418 4.832 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nc2ccc(Cl)cc2s1 2314563188 UGXIYOUUSWBZDQ-UHFFFAOYSA-N 445.978 4.790 10 10 IJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(C)C 2314842538 YFWKCAIXWYPGDV-UHFFFAOYSA-N 437.583 4.576 10 10 IJCE Cc1ccc(CN[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1Br 2352693643 QLFSNJRPUWUJRH-ZBFHGGJFSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352946655 MHRQPZZOJPBPHD-HOCLYGCPSA-N 427.383 4.731 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 2367015 USXKRYPZTYJHGX-OEAKJJBVSA-N 427.504 4.686 10 10 IJCE CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 34707113 FMBKMEJOXGNGJX-UYRXBGFRSA-N 447.516 4.558 10 10 IJCE COCCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 54620282 SJBGTCASYOGYTA-DEOSSOPVSA-N 443.503 4.649 10 10 IJCE CC(C)N(Cc1ccc(N)cc1)C(=O)c1cc(Br)c(Br)s1 128340380 NZIFORNMSQCSSS-UHFFFAOYSA-N 432.181 4.906 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1307853599 SEUANFQHHJQXDS-SFHVURJKSA-N 430.932 4.704 10 10 IJCE Brc1cc(CNC[C@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 1663167337 DWGJLVGKHHGOPD-LJQANCHMSA-N 437.422 4.505 10 10 IJCE N[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3cccs3)c(Br)cc21 1915387636 DYTWQTPJNHYDFI-LJQANCHMSA-N 428.355 4.669 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H](O)c1ccc(N2CCCCC2)cc1 2044734071 RYDUXOWHJDLHJT-RPWUZVMVSA-N 440.584 4.820 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC)c1cc(Br)ccc1O 2140650030 JSBMZGHDFKEDFX-UXLLHSPISA-N 445.423 4.546 10 10 IJCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C(C)C)C3=O)cc2)cc1 2296539256 JUIWNNOQETZZDW-UHFFFAOYSA-N 439.558 4.924 10 10 IJCE O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 2297736434 DAODIKBJVCMPST-UHFFFAOYSA-N 437.590 4.617 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2cccs2)cc1 2313682398 BRILBCDAPWHWAP-UHFFFAOYSA-N 447.560 4.623 10 10 IJCE O=C(C(Cc1ccccc1)=C1SC(=S)N(Cc2ccccc2)C1=O)N1CCCCC1 2314486681 LFGDKTJTFPCYEH-UHFFFAOYSA-N 436.602 4.556 10 10 IJCE CC[C@@H]1CC[C@@H](NCc2ccc(C)c(Br)c2O)CN1C(=O)OC(C)(C)C 2352945048 PZJBVJQGBCOQLG-HZPDHXFCSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352946653 MHRQPZZOJPBPHD-GDBMZVCRSA-N 427.383 4.731 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 2210324 WXTZYOSFCQGDPH-PXLXIMEGSA-N 427.504 4.631 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14468039 BAQMRKDOPOOFSK-BXTJHSDWSA-N 433.335 4.902 10 10 IJCE O=C(CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc(Cl)cc1 15035504 KANPPUWWWKFQJC-NVNXTCNLSA-N 439.345 4.539 10 10 IJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20705087 IDUXWXBPJPSBTQ-VIZSFHNOSA-N 439.537 4.596 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1Cl 107981667 WTQDNAXMBRTICO-ZWKOTPCHSA-N 438.877 4.615 10 10 IJCE CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@@H]2c2ccc(N(C)C)cc2Cl)cc1 248109985 JXGRTJXPKRJZTO-OFNKIYASSA-N 427.976 4.956 10 10 IJCE CCOc1cccc(CNc2cc(I)ccc2Br)c1O 312826409 TUMOCXKXDVGSJZ-UHFFFAOYSA-N 448.098 4.770 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526296081 CYGFNSAEPXVBIE-XMMPIXPASA-N 430.504 4.827 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(S)cc1O 687755868 OWXMGFKDIJTGCZ-NRFANRHFSA-N 435.501 4.735 10 10 IJCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 708156214 GMSFYBHDOWAVGT-XHDPSFHLSA-N 433.774 4.543 10 10 IJCE CCS(=O)(=O)c1ccc(O)c(N=c2cc(C(C)(C)C)[nH]c(-c3ccc(Cl)cc3)n2)c1 1859832866 QEVHXRAXDPELLV-UHFFFAOYSA-N 445.972 4.759 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 1865668339 RLSREDYRWFCPSE-WQLSENKSSA-N 440.805 4.714 10 10 IJCE Cc1ccc2c(O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc2c1C 1866489790 VFDXVOQPIVKVER-XMMPIXPASA-N 446.595 4.580 10 10 IJCE CC[C@@H](NCCC1CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2091824560 ZUQKMIOZWYDNRW-PUJMQQBBSA-N 427.383 4.889 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163306358 JSSVTHZKXYEGDV-JPYJTQIMSA-N 428.418 4.961 10 10 IJCE C[C@@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163333783 JMCNIGGXWQXTCM-GOSISDBHSA-N 428.418 4.961 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)c1 2294965727 AMYYJCCJFZTTRB-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE O=C1C(=Cc2c[nH]nc2-c2ccccc2)SC(=S)N1Nc1nc2ccccc2s1 2314488687 MINBATZAKBGZPP-UHFFFAOYSA-N 435.559 4.915 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C 20419048 MKSYLGQATTYPFC-LDADJPATSA-N 449.981 4.946 10 10 IJCE O=C(Nc1ccc(CNCc2cc(Cl)cc(Br)c2O)cc1)C(F)(F)F 708171038 MECNBLIKTCXYFU-UHFFFAOYSA-N 437.643 4.599 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031280 ZKAOJHGDFVUOLN-UCNVEGJOSA-N 428.418 4.960 10 10 IJCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 801937172 GFPBRZBVUFXLIG-KRWDZBQOSA-N 433.508 4.541 10 10 IJCE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1634023057 VBOIGYLXOLTNOD-FUHWJXTLSA-N 437.971 4.708 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(O)ccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866481996 VROYTWOJFSKKRL-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccc(C)cc2C)c1C 2294033950 DWCZXGFAGVCRSU-QFIPXVFZSA-N 448.563 4.563 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 2314769275 WYAIXGYCXPDEMB-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 20704691 RHKMAENALHRCBX-VWKPWSFCSA-N 441.915 4.841 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 98071281 LZRZLOMNBNLLEJ-AREMUKBSSA-N 445.563 4.562 10 10 IJCE CCC[C@@]1(CNCc2cc(Br)ccc2O)CCCN1C(=O)OC(C)(C)C 311397851 GDISSZVTOZNZGN-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 773744926 GHYZVSJLRWSCAN-ZDUSSCGKSA-N 447.466 4.679 10 10 IJCE CC(C)N(C(=O)c1ccc(Br)o1)c1cccc2c1C(=O)c1ccccc1C2=O 1859889213 WNBAOZHOQRHYLG-UHFFFAOYSA-N 438.277 4.873 10 10 IJCE CC[C@H](C)N(C(=O)c1cc(OC)cc(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910471 JDZMDMCSHDWJDE-INIZCTEOSA-N 443.499 4.925 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1ccc2c(c1)OCCO2 2042449564 FHSQYPDNYXZWFF-UHFFFAOYSA-N 434.336 4.626 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188883095 GQHMDDCKHSFSBF-FHJLPGHOSA-N 428.418 4.830 10 10 IJCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243916163 LHNUDABNTSMDGV-SFHVURJKSA-N 447.539 4.997 10 10 IJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)ccc1Br 2313547810 CKWXBCMFSGBOJV-UHFFFAOYSA-N 435.277 4.577 10 10 IJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314837108 OIGRSCCCOJVBCN-LBPRGKRZSA-N 432.954 4.577 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 2323886590 JELQHMUZHSJTOQ-LJQANCHMSA-N 439.562 4.633 10 10 IJCE Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 1163957 JIOFJPKCRVKJBL-UYRXBGFRSA-N 436.309 4.954 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1oc2ccccc2c1C 33531437 SMFXEFOHBVQCIH-WOJGMQOQSA-N 439.514 4.800 10 10 IJCE COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3cccc(O)c3)C2=S)cc1 35059165 LUPDFIGCNXGJIG-PDGQHHTCSA-N 428.535 4.657 10 10 IJCE O=C1/C(=C\NCc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100408656 DRMHIJDNTKJWCU-RAXLEYEMSA-N 436.846 4.888 10 10 IJCE CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1N=Nc1nccs1 252617903 LAYLXUUPOSAOCY-ZDUSSCGKSA-N 447.343 4.904 10 10 IJCE CC(C)CNCc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 313111154 ZJFXYPACLOWHQE-NRFANRHFSA-N 430.434 4.905 10 10 IJCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(OCC3CCCC3)CC2)C1 435818258 MESGWZNLBZWZKV-UHFFFAOYSA-N 437.628 4.606 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CNCc1cc(Br)cc(F)c1O)c1ccccc1 715825869 GHPRYLIZHJUELO-QGZVFWFLSA-N 439.325 4.649 10 10 IJCE CCN(CC)c1ccc(CNC(=O)Cn2c(-c3scnc3C)nc3ccccc32)cc1 742554260 WHMKUEIAMGAVTN-UHFFFAOYSA-N 433.581 4.631 10 10 IJCE Cc1cc(=O)c(OC(c2ccccc2)c2ccccc2)cn1CCOc1ccc(N)cc1 1857916857 PXDUTNWKYDTEGR-UHFFFAOYSA-N 426.516 4.986 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OCC 1860073557 QWARLGUTWYPMKZ-XDHOZWIPSA-N 443.546 4.517 10 10 IJCE CC(C)c1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cc(F)ccc2n1 1866277657 ARTVUKJKDMFOEA-XMMPIXPASA-N 445.542 4.816 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H](N)c1ccc(N2CCCCC2)cc1 2044764011 GFBVFLOJUYQCJA-DNQXCXABSA-N 439.600 4.787 10 10 IJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1c1ccc(F)cc1 2053528002 FIYRUBYAMIIVTH-UHFFFAOYSA-N 438.299 4.723 10 10 IJCE CC[C@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 2164300257 BMTOXBAAGUPCQL-YOEHRIQHSA-N 439.394 4.985 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC 2321690851 ARRYWJLAZFOATP-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)c1 2321908137 ZZGMGSFZPXFAEE-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE Cc1ccc(Cn2c(C)nc(Br)c2Br)c(O)c1Br 2327790255 SCTCIQGVMAUIMR-UHFFFAOYSA-N 438.945 4.541 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2381133184 LBPKVIGIAVKYKZ-MRXNPFEDSA-N 441.410 4.978 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469226 LFPDIJPAHTXUKV-DFIYOIEZSA-N 434.536 4.977 10 10 IJCE COc1cccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)c1 20071344 SOZUXTOOUCMDTD-BWKNWUBXSA-N 432.476 4.660 10 10 IJCE COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(OC)c(OC)c2)c1 34139263 JSYFYESSMYMZKG-QNGOZBTKSA-N 444.487 4.556 10 10 IJCE Cc1cc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl 40317486 WHFMSHTVDOHMFR-OAQYLSRUSA-N 425.960 4.556 10 10 IJCE CC(C)SC1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 96450440 YGZLKSSDMZHMKB-UWRFPUSRSA-N 441.494 4.573 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2ncccc2C)cc1 205964957 JURGMQMXWFYSBV-OQKWZONESA-N 428.492 4.544 10 10 IJCE CC[C@@]1(CNCc2cc(Br)cc(F)c2O)CCCCN1C(=O)OC(C)(C)C 715712981 NBIAWDSPXHKYSQ-FQEVSTJZSA-N 445.373 4.953 10 10 IJCE Cc1ccc(/C=C/C(=O)Nc2ccc(N(C)C(=O)/C=C/c3ccc(C)nc3)c(C)c2)cn1 754350143 CPWIAMKMXYDYPW-UTLPMFLDSA-N 426.520 4.730 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCn1cc(Cl)cn1 1705835497 MNMAVMUUFOHQFR-UHFFFAOYSA-N 435.963 4.525 10 10 IJCE CCN1N=C(c2ccccc2)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 1865671455 BYLKKSPYPQXDMO-BOPFTXTBSA-N 443.341 4.895 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865678934 LPIMJLSRODWEFB-BUVRLJJBSA-N 442.515 4.851 10 10 IJCE CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870784676 ZQJWOVSKEHTXQW-UHFFFAOYSA-N 429.524 4.569 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(NCc1cc(Br)cc(F)c1O)CC2 1965972668 OWVDHXYCOYUURK-CZDRUDQFSA-N 443.357 4.609 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NCc3cc(Cl)cc(Br)c3O)[C@@H]21 1966018579 KPKUBSLNUFYWHO-VNQPRFMTSA-N 445.785 4.686 10 10 IJCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1984692441 NYFVFDMRTFJNCD-MSOLQXFVSA-N 444.531 4.839 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2cc(Br)ccc2O)CC1 2093976822 JNPHXTIDNGTLLT-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163319434 VFVDHVXLFKBGBQ-WZONZLPQSA-N 428.418 4.961 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)ccc2O)C[C@H]2CCCC[C@@H]21 2240957792 NGLREDKWUOZWSY-JLSDUUJJSA-N 439.394 4.813 10 10 IJCE CC(C)C1=NN2C(=N)C(=Cc3cccn3Cc3cccc4ccccc34)C(=O)N=C2S1 2293601561 VMHCIRCVBGCICE-UHFFFAOYSA-N 427.533 4.965 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094566 SZSBYLLIBGZEOG-UHFFFAOYSA-N 434.879 4.590 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S 40564469 CYKBVULGZYWHEF-MLPAPPSSSA-N 447.843 4.905 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(Cl)c(Cl)c1 59372429 SXNQEEKWYJEURA-OMCISZLKSA-N 439.345 4.993 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)O)c(Br)c1 382627879 WDYRYCWZXZZTCI-QXLXQBSBSA-N 429.358 4.648 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 709439197 SNJUKWSERWKQCU-MBGYTDRXSA-N 439.394 4.983 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2cc(Br)cc(F)c2O)CCCCC1 715814292 RMRWQZHIRLAQAG-UHFFFAOYSA-N 431.346 4.611 10 10 IJCE Cc1cc(Br)c(O)c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 781897865 UEYWKIHRAUNXIA-UHFFFAOYSA-N 429.358 4.520 10 10 IJCE C/C(=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccs1 1586620539 YYMKGVYFOFTLHI-IDCODDLRSA-N 429.586 4.600 10 10 IJCE O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 1622743787 JAPVHBDUDGAADZ-UHFFFAOYSA-N 433.895 4.576 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OCC)c(OCC)c3)C2=O)ccc1O 1860086970 SIZVWIRMKBWWOC-UDWIEESQSA-N 445.562 4.994 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867976850 ONTTTYQLELPCBN-UHFFFAOYSA-N 449.986 4.732 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079046868 FPSFDPPJXYMVNO-CQSZACIVSA-N 429.261 4.773 10 10 IJCE CC1(c2c(C3CC3)nn(Cc3ccc(Cl)cc3O)c2I)CC1 2079733017 YTVXWQMBNKAAGL-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE CC[C@H](NCCC1(C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2123282924 MSXDLFXXHTXYCD-INIZCTEOSA-N 427.383 4.843 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)ccc1O 2332094932 WQTADXJXRXTXDD-UHFFFAOYSA-N 428.488 4.942 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(O)cc2O)cc1 2332096200 YTMNUFVUMBFMGY-UHFFFAOYSA-N 428.488 4.553 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 14474195 ZAWOZOGEWIXLGC-WZOHSFFVSA-N 432.545 4.697 10 10 IJCE Cc1c(Cl)cccc1N1C(=O)N=C(O)/C(=C/c2ccc(O)c(Br)c2)C1=O 34234798 HUAWDNCIGABAOG-XFFZJAGNSA-N 435.661 4.623 10 10 IJCE CC(=O)N(C)c1ccc(N=N[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 575733409 REMIZVNCYYNIED-OAQYLSRUSA-N 446.536 4.976 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 690944122 LNVRMUGWSFXFPU-LXZKKBNFSA-N 427.383 4.983 10 10 IJCE CCN(C(=O)/C=C/c1cncc(C)c1)c1cccc(NC(=O)/C=C\c2cncc(C)c2)c1 772063483 IHFUMXTYSFZEBA-PNQPDEHRSA-N 426.520 4.812 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1O 1473451777 FMSWZAUWTYODPC-FQEVSTJZSA-N 427.850 4.758 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@H]4C[C@]5(C)CCC[C@@H](C)C5=C[C@H]43)C[C@@H]2C)cc1 1565538743 KROIZQLPVOFDSY-ZSSSJMAESA-N 438.612 4.520 10 10 IJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccc(C)cc1 1860646872 RIBYFWRZBWRUIP-SFHVURJKSA-N 442.581 4.652 10 10 IJCE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)cc2C1=O 1865898075 SIQCFEXFXHPTAJ-OAHLLOKOSA-N 429.476 4.708 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1 1868176220 KSVCYONHRFNVOO-UHFFFAOYSA-N 448.482 4.512 10 10 IJCE CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422969 YSVCNVVNADDCJM-UHFFFAOYSA-N 444.491 4.523 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Br 2080047464 FNFFVBFZBBBEDN-HNNXBMFYSA-N 431.277 4.938 10 10 IJCE CC[C@@H](NCC1(F)CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2105022201 AXKLZZGTRFZFDZ-SHBDPFAUSA-N 431.346 4.591 10 10 IJCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1)C(=O)O 2314929192 IPUDRQWBYUHHRF-JTQLQIEISA-N 437.901 4.737 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 2321647219 DYFIMFDHDLQAGV-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2332115207 XYUAPBHTJHQIDB-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc(OC)c1O 2332147614 NPFPYSKFUXHSLE-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@H](C)CC)cc3[C@H]3C=CC[C@@H]32)cc1 14543662 DCVDNPNPMBTPQW-ZWBFNDLWSA-N 426.582 4.989 10 10 IJCE COc1ccc(N2CCN(c3cc(C(=O)NC4CCCCC4)c4ccccc4n3)CC2)cc1 23335646 WTCTWIZJCWBALI-UHFFFAOYSA-N 444.579 4.633 10 10 IJCE COc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c(OC)c1 59369338 UOTOYJPCXUMTBA-UHFFFAOYSA-N 440.540 4.543 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)NCc2ccccc2)C1=O 210733333 WSIWZORTGJLTJK-PSNBXYPMSA-N 436.602 4.931 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 717414942 BBZJZKFDJISEQI-LEWJYISDSA-N 428.418 4.802 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)c1O 1171407496 KNXZYZMWCBQHDA-HNNXBMFYSA-N 436.980 4.860 10 10 IJCE C[C@@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 1928774228 BSYVSRFYQIJNGM-GOSISDBHSA-N 432.520 4.903 10 10 IJCE CN(C)c1ccc([C@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044717552 FQYDUILWXDNGMQ-OZXSUGGESA-N 440.584 4.630 10 10 IJCE CC(C)Oc1ccccc1C=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2293366949 CEJWNJPNFFEHJB-UHFFFAOYSA-N 441.984 4.920 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1OC 2314538990 ILVFNECGVKSSBI-OAHLLOKOSA-N 437.583 4.575 10 10 IJCE O=C(Oc1ccc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1)c1ccccc1 2332134218 YHVJGVNLTKTVFC-UHFFFAOYSA-N 437.377 4.649 10 10 IJCE O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 21729665 AKBDCKBZPLHSAW-LJQANCHMSA-N 429.492 4.738 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)cc1OC 33457725 ABGNAGCPYPQKIX-WQRHYEAKSA-N 428.872 4.642 10 10 IJCE Cc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 47152243 JQTYWMWZLOFNLN-AQTBWJFISA-N 441.534 4.523 10 10 IJCE O=C1C[C@H](N2CCC(N3CCCCC3)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712859 XWRAOOZOAMXSOI-GUMONVLZSA-N 445.567 4.684 10 10 IJCE COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 170569911 AIIRUZRWKNWUGR-UHFFFAOYSA-N 447.874 4.726 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc(Br)ccc1O 389763049 ZWPRWNAMVIZETG-COXVUDFISA-N 427.383 4.841 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc(O)nc4ccccc34)cc2Cl)C1 800710895 BJZUSEPTMBEMBG-MRXNPFEDSA-N 438.959 4.830 10 10 IJCE Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c12 917085178 FILZUXVRYFOWTC-UHFFFAOYSA-N 445.567 4.510 10 10 IJCE CCCN(CCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867967502 XTYJRLNWTPUVCF-UHFFFAOYSA-N 425.621 4.736 10 10 IJCE COCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420193 JBOUOHZLWHKMSM-UHFFFAOYSA-N 443.547 4.549 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1901482554 IYXOBCOHGNVTHO-SBUREZEXSA-N 447.539 4.995 10 10 IJCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Cl)cc(Cl)c2I)CC1 1912167996 AJLGFXLJNDGNNL-UHFFFAOYSA-N 425.057 4.513 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2168785980 FPUICKOQBGHUSC-LEWJYISDSA-N 428.418 4.517 10 10 IJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1F 2296711325 MYSAVJUQHUMOBR-UHFFFAOYSA-N 439.537 4.956 10 10 IJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313681381 CSQPBLSVPLFIRE-UHFFFAOYSA-N 427.476 4.740 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H](C)CC)C1=O 2314414240 TYYAHXFZBPRGJR-HNNXBMFYSA-N 444.626 4.605 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)cc2)SC1=S 2314770061 YPSVBEYMUFXSGN-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 250501678 GVEMRVDDAMXAFQ-YZIHRLCOSA-N 426.516 4.844 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(OCCNCc2c(O)cccc2Br)c1 706842338 AOZVZPHTFUVYBS-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(OCc3cscn3)c2)cc1 728839153 FONXYDCWAFHWMO-UHFFFAOYSA-N 449.498 4.993 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)cc1F 1628770155 YPVVOYAFXUNAMI-UHFFFAOYSA-N 426.536 4.703 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H]1C(=C)C 1705835739 SFOCWOSEKYYMLP-QPPBQGQZSA-N 431.584 4.956 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)ccc1O 1860086684 ANBJNNHCPIYCBU-YBFXNURJSA-N 443.546 4.762 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc(Cl)c1O 1865674832 ALYOAOCSUYPXCO-MLPAPPSSSA-N 428.769 4.537 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(Br)cc2)cc1 1865679901 MAVITYYCIFZKAO-XMHGGMMESA-N 434.293 4.687 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNCc2ccc(Br)cc2O)C1 1967846132 VFBWFBXCYWBMPI-INIZCTEOSA-N 439.394 4.672 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(N)c2I)C2(C)CC2)cc1C 2079978479 BAPSDOXBNZREDN-KRWDZBQOSA-N 437.325 4.659 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Br)cc(F)c2O)CC12CCC2 2173319645 INFUWIBCYHKVGK-CYBMUJFWSA-N 443.357 4.563 10 10 IJCE CCCNCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1Br 2187750018 FRIDCJXMZWQFJL-UGKGYDQZSA-N 428.418 4.659 10 10 IJCE CC[C@H](N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271312622 KLULFBJSINEXEC-RRQGHBQHSA-N 427.383 4.983 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2F)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297350948 LBWYLCGRROVMTH-UHFFFAOYSA-N 439.287 4.902 10 10 IJCE O=C1N=C(N2CCOCC2)SC1=Cc1c(OCc2ccccc2F)ccc2ccccc12 2297468680 ZLTFUAKKUUSPLR-UHFFFAOYSA-N 448.519 4.860 10 10 IJCE Cc1ccc2occ(C=CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 2323303216 WNWMJZIVSHDONC-UHFFFAOYSA-N 435.435 4.529 10 10 IJCE Cc1ccc(CNC[C@]23CC[C@H]2CCCN3Cc2ccccc2)c(O)c1Br 2380799477 ZHGILORDLWMMBK-NFBKMPQASA-N 429.402 4.998 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 33417696 BYHACMAKZXSDNZ-HEHNFIMWSA-N 438.618 4.589 10 10 IJCE CCOc1ccc2nc(N/C=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)sc2c1 103250479 QFXBAYYIAXJKHF-GXDHUFHOSA-N 442.884 4.768 10 10 IJCE COc1ccc2ccccc2c1/C=C1/SC(=S)N(CC(=O)OC2CCCCC2)C1=O 206475362 CVMNLCZJIFWVKS-DEDYPNTBSA-N 441.574 4.926 10 10 IJCE CN(Cc1ccccc1CNCc1ccc(Br)cc1O)C(=O)OC(C)(C)C 691401812 KYFMPCNYUAVZQN-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE C[C@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1Cl 765350984 MAYMDESRPUPENQ-MSOLQXFVSA-N 427.976 4.715 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)CC2)cc1 1861864342 ODLIQPPWLYJOAW-UHFFFAOYSA-N 446.938 4.854 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)ccc1O 1865650041 RUKZJBPSUHVMAQ-PXLXIMEGSA-N 444.487 4.643 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](N)Cc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866005737 XOHVBUGMARGJFC-LJQANCHMSA-N 440.540 4.775 10 10 IJCE CCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170823 RWZUCOMBLZKLFJ-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CNC2CC2)cc1Br 1915040644 USIBTUIMWLYVSW-UHFFFAOYSA-N 425.374 4.582 10 10 IJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3)o2)SC1=S 2040480315 MWZSNBQSTNQRNQ-HNNXBMFYSA-N 433.576 4.663 10 10 IJCE Cc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c(C)n1-c1ccccc1 2042453652 WELSZEIUODNEBT-UHFFFAOYSA-N 428.579 4.940 10 10 IJCE N=C1C(=Cc2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 2297349963 HVOYLMPFVVJKJC-UHFFFAOYSA-N 445.529 4.634 10 10 IJCE CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 2297460030 MTWDYLBOSJEZJN-UHFFFAOYSA-N 444.512 4.597 10 10 IJCE COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)cc1 2297500191 QRVQPWUJRTZFHP-OAHLLOKOSA-N 448.500 4.662 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12)c1cc(Br)ccc1O 2355657244 KDOLRPPMZSCNEL-LAVFITLUSA-N 439.394 4.983 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 33723694 TYYAHXFZBPRGJR-ZKMNFCBKSA-N 444.626 4.605 10 10 IJCE O=C(Nc1nccs1)/C(Cc1ccccc1)=C1/SC(=S)N(c2ccccc2)C1=O 39793762 NCNHWZYVPDCCFR-WUKNDPDISA-N 437.571 4.643 10 10 IJCE COC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 40937971 ZQEAOYFXXHRVBM-LDADJPATSA-N 447.965 4.683 10 10 IJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c(C)n1-c1ccccc1 62694098 NWWKZDUECDXWSH-UHFFFAOYSA-N 443.591 4.858 10 10 IJCE CCOC(=O)c1sc2nc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2c1N)CCCC3 96586965 OKNJAOVBGISCOW-UHFFFAOYSA-N 442.537 4.627 10 10 IJCE C/C(NCc1cccnc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205951817 UVAIIERBPIHRGI-LTGZKZEYSA-N 425.517 4.506 10 10 IJCE CCOc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCCC(=O)O 210468873 IYGPAHZNBSTHCX-MOSHPQCFSA-N 440.521 4.638 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226676989 IPWSYKBOFQDXEL-UMFSSWHCSA-N 431.580 4.832 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526231300 CTFBOLZUGFBZBM-HSZRJFAPSA-N 447.487 4.735 10 10 IJCE Cc1cc(CCNC(=O)c2ccccc2SCC(=O)NC(C)C)c(C)n1-c1ccccc1 746426234 NIXYYPAZIAGRLZ-UHFFFAOYSA-N 449.620 4.683 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H]2COc3cc(F)c(Br)cc32)c1 800305407 BLZRHXKDSREDFZ-AWEZNQCLSA-N 431.099 4.588 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)ccc1O 1860084015 KVDQJHIDHREYIM-LZYBPNLTSA-N 436.898 4.758 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)[C@H]1C(C)(C)C 1877293527 ZUVLFFYIPBYXPC-WBVHZDCISA-N 427.383 4.668 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1984694851 MYCZFMKTMPXUDI-SBUREZEXSA-N 447.539 4.851 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079038290 YBMIPQPUSNLSNM-MRXNPFEDSA-N 441.357 4.503 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2079985886 MTZIKVXKDMJRTQ-GOSISDBHSA-N 434.378 4.970 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2cc(Br)ccc2O)C1 2100260027 SSIZYZPOHQFHFL-YOEHRIQHSA-N 427.383 4.718 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccc(CC)cc1 2297624875 XZTVXJZOFFZQSG-UHFFFAOYSA-N 443.590 4.984 10 10 IJCE CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(OC)c(O)c(OC)c1 2332147477 GPBLXLIAMMWYDX-UHFFFAOYSA-N 432.879 4.784 10 10 IJCE Nc1ccc(CCCOc2cc(Br)cc(I)c2)cc1 2338712143 KWXYJXJWXGIBQN-UHFFFAOYSA-N 432.099 4.648 10 10 IJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639942 BQXCCFYSGICHHY-OHUGHZGNSA-N 448.544 4.749 10 10 IJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cccs3)CC2)cc1 20289555 QULFDIRNXBKOKN-JTSKRJEESA-N 441.622 4.500 10 10 IJCE CC(=O)N(c1nc(/C=C2\SC(N3CCCCC3)=NC2=O)cs1)c1cccc(C)c1C 26456124 HCYICDMYGWPEGF-UNOMPAQXSA-N 440.594 4.901 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nccnc2N2CCCC2)cc1 33313087 MBUZCNDXRYLWQU-UHFFFAOYSA-N 441.579 4.664 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)c(C)c2)c2ccccn2)cc1 54120846 SQZAKUVZQZDKFN-VWLOTQADSA-N 433.596 4.991 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3ccccc3SCc3cscn3)CC2)cc1 108429001 SSJMRFMDRLNSBY-UHFFFAOYSA-N 439.606 4.797 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2cc(I)ccc2Br)c1 383512219 DTGPDOCCYDRAMM-VIFPVBQESA-N 448.098 4.941 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642363 QIWJKCMKBZMADL-DVECYGJZSA-N 429.555 4.757 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)c(F)c2)sc(C)c1-c1ccccc1 1860746712 ZNZDAMRMFJLPJA-UHFFFAOYSA-N 440.496 4.925 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cccc(Cl)c2n1 1866496237 PIKQZKUTWAAGKS-UHFFFAOYSA-N 428.831 4.622 10 10 IJCE CCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421542 DHJOJAKPJMYWOX-UHFFFAOYSA-N 435.474 4.974 10 10 IJCE CC(=O)N(c1nc(C=C2SC(N3CCCCC3)=NC2=O)cs1)c1ccc(F)cc1F 2040483843 KUPYATBJLYXKPP-UHFFFAOYSA-N 448.520 4.562 10 10 IJCE Cc1ccc(O)c(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c1 2079698160 ILMQEQJSSOZFSW-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CC(C)(C)OC(=O)N[C@](C)(CNCc1cc(Cl)cc(Br)c1O)C1CCC1 2137707135 AWCIWYKGVUOWQQ-LJQANCHMSA-N 447.801 4.981 10 10 IJCE CN(Cc1ccccc1O)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2180690588 FIDYNEJKQOBBHZ-UHFFFAOYSA-N 435.318 4.774 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1)c1cc(Br)ccc1O 2196384478 XGWZOJARCBYVJO-LNLFQRSKSA-N 439.394 4.983 10 10 IJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 2294253419 OZEYBNDGKWKXOM-HNNXBMFYSA-N 442.968 4.965 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1 2296398127 VNPOERIQZPYNCZ-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(O)c(C(=O)O)c1 2296907948 ILGNSMYEXSYDJK-UHFFFAOYSA-N 440.670 4.769 10 10 IJCE CC1=CN2C(=N)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 2297470712 YFQGIQGAQUIOOI-UHFFFAOYSA-N 428.517 4.887 10 10 IJCE CC(C)CC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1 2297499712 XEDIWHJNMAOFGK-UHFFFAOYSA-N 438.534 4.633 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1cccc(Br)c1 2321614878 MIBSRPGVWQOUCX-UHFFFAOYSA-N 434.336 4.626 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(N)cccc2Br)[C@H]1C(F)(F)F 2344109714 IENBRLMROJXCDC-JSGCOSHPSA-N 438.288 4.774 10 10 IJCE Cc1ccc(CNC[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2380811890 PQIRUPGCGIBAQU-INIZCTEOSA-N 439.394 4.590 10 10 IJCE Cc1cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c(C)n1-c1cccc(Cl)c1 9252058 NRRIINUQCBFAOL-UHFFFAOYSA-N 426.885 4.680 10 10 IJCE COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(N(C)C)cc2)c(OC)c1OC 36348524 DQXQCPBDOKSXNZ-DEOSSOPVSA-N 435.568 4.575 10 10 IJCE CCOc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@H](c3ccccc3O)C2)cc1 53363484 MEVLCJFKESGBDB-UKILVPOCSA-N 430.504 4.800 10 10 IJCE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cc(C)cc(C)c4)c3)C(=O)N=C2S1 103564428 CDVYZHCROMYVFI-FTNSYOLJSA-N 448.548 4.790 10 10 IJCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1CCc1ccccc1 303199401 HDVPOQKNNMOOIV-UHFFFAOYSA-N 428.576 4.611 10 10 IJCE CCOc1ccc(O)c(CN[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)c1 727836666 AIRTYTXCGCEUJI-HOYKHHGWSA-N 425.573 4.534 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1O 768742183 ZLGVAYYDCIIMIK-NRFANRHFSA-N 435.421 4.930 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@H]4C[C@]5(C)CCC[C@@H](C)C5=C[C@H]43)C[C@H]2C)cc1 1565538740 KROIZQLPVOFDSY-NFBORRJUSA-N 438.612 4.520 10 10 IJCE COc1cc(/C=C2/SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc(Br)c1O 1858589653 DASMHGVQCCUMAC-PMFQKGTDSA-N 442.400 4.943 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087703 OQCUPZKQKGUFSK-RIYZIHGNSA-N 426.397 4.899 10 10 IJCE CCCC[C@@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866019611 TVYQTWNWGMSDRU-CQSZACIVSA-N 439.375 4.729 10 10 IJCE O=C(CCc1cccc(Br)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866123963 LUUXKWKSGDYZRM-UHFFFAOYSA-N 434.289 4.796 10 10 IJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@@H](C)C4)nc(C(C)(C)C)n3)CC2)cc1 1867967631 DFYGBRIAOHOJTC-BGYRXZFFSA-N 437.632 4.592 10 10 IJCE COc1ccc(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c(O)c1 2079717680 DNQLKKUTGSLLEX-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CNCc3cc(Br)cc(F)c3O)CCC[C@H]12 2143589865 FESWIUONSBKAJI-OXJNMPFZSA-N 443.357 4.563 10 10 IJCE CNCc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145265153 CZEOSAMNGGUVRK-IFMALSPDSA-N 428.418 4.659 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163333404 HEJDPPLVACRWTF-WZONZLPQSA-N 428.418 4.832 10 10 IJCE COc1ccc(Br)c(CN[C@H]2CCN(Cc3ccccc3)CC2(C)C)c1O 2236035668 GXNFAMOQTZUWBI-FQEVSTJZSA-N 433.390 4.554 10 10 IJCE CCCCN1C(=O)C(=CC=C2Sc3ccc(Cl)cc3N2CCO)SC1=S 2297452751 GXJGDBUMSLUWNF-UHFFFAOYSA-N 427.016 4.630 10 10 IJCE Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 2332144774 MLTKDVRJELQWSJ-UHFFFAOYSA-N 427.460 4.747 10 10 IJCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@@H]21 14478041 BWYMFACPNALWJW-BSRJHKFKSA-N 439.537 4.596 10 10 IJCE CCCCCCN1C(=O)/C(=C/c2c(NCCC)nc3ccc(C)cn3c2=O)SC1=S 33474143 VNHIHJLKYLELBI-LGMDPLHJSA-N 444.626 4.606 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3OC)C2=O)cc1 34767039 HDWHDIDYNKRLMW-ZHZULCJRSA-N 427.595 4.812 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)Nc1ccccc1F 211955897 YCELKENREVOQGS-XDHOZWIPSA-N 438.505 4.926 10 10 IJCE O=[N+]([O-])c1ccc(N=Nc2sc(N3CCOCC3)nc2-c2ccccc2)c([N+](=O)[O-])c1 254496596 CTMLSNRBEUPWNP-UHFFFAOYSA-N 440.441 4.879 10 10 IJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873167942 DHNPHGWDOBNTDB-SFHVURJKSA-N 427.548 4.762 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F 1951381362 LTKDZBJHGNFZRP-QHCPKHFHSA-N 434.467 4.556 10 10 IJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080047312 CIAZFQJSSGRYNB-MRXNPFEDSA-N 439.350 4.689 10 10 IJCE CCN[C@H](C)c1ccc(N(CCOCCOC)Cc2ccccc2)c(Br)c1 2152214260 CDFXKLSLFNSSBD-GOSISDBHSA-N 435.406 4.789 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2CCCCCN(Cc3ccccc3)C2)c1O 2236054607 KHNNWNQHORIALZ-GOSISDBHSA-N 433.390 4.698 10 10 IJCE CC(NCCc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2297322770 LGIFSFAWWHPMTA-UHFFFAOYSA-N 430.455 4.668 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 2313671168 MYCHVNXIYRIWFX-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)cc1Br 2357091633 NCDIFCIEJUYIPT-ROQCDXFCSA-N 429.402 4.989 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)c(O)c1Br 2381130767 DMUVCAFDSVYOES-IRXDYDNUSA-N 441.410 4.834 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(C)cc5)c4c3)CC2)cc1 9528986 FBWFNGMSGXGACO-UHFFFAOYSA-N 427.504 4.774 10 10 IJCE CC(=O)Nc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526509269 BBPHLRXNWNPGEQ-DEOSSOPVSA-N 444.487 4.730 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1O 1559760873 BXWTXLJZENPUKY-GOSISDBHSA-N 442.712 4.723 10 10 IJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(Cl)cc1 1862361331 GJKGXBGODAUPNT-UHFFFAOYSA-N 438.959 4.585 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cccc1OC 1865668968 ZJNTZEJZNVFMHN-VBKFSLOCSA-N 436.405 4.967 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)F)c(C=O)c2I)cc1C 2080052490 ATGFJABDBLAYTQ-OAHLLOKOSA-N 446.235 4.560 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2NCc2c(O)cccc2Br)C1 2156250500 IDHGYDXAKQEEFN-RXVVDRJESA-N 439.394 4.814 10 10 IJCE OC[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br 2240024323 RBFWYJDDRSFDFC-HSZRJFAPSA-N 429.402 4.869 10 10 IJCE CN(CC[C@@H](NCc1ccc(Br)cc1O)C(C)(C)C)C(=O)OC(C)(C)C 2278584311 SJVLRTPONKRSME-QGZVFWFLSA-N 429.399 4.916 10 10 IJCE Cc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccnc1 2293403520 KVYQGOLKVLYRGT-UHFFFAOYSA-N 436.518 4.803 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1ccc(C)c(C)c1 2297347372 KUOGDEIEQYCTQW-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1OC 2322502487 SKIRYNNCZLXXMF-UHFFFAOYSA-N 445.519 4.674 10 10 IJCE Cc1ccc(CNC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(O)c1Br 2352944510 JAOXWEMVJXAMRL-OAHLLOKOSA-N 427.383 4.588 10 10 IJCE COCOc1ccc(N2CCN(c3ccc(NC(=O)Oc4ccccc4)cc3)CC2)cc1 65743254 UFJQKFGDGIVFLZ-UHFFFAOYSA-N 433.508 4.607 10 10 IJCE in-vitro CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2F)c1C 115565613 ADAITLZKRHJAJN-UHFFFAOYSA-N 425.529 4.666 10 10 IJCE CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032446 RQWHFZYPQBNXHU-RGVLZGJSSA-N 449.557 4.878 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCC(=O)O 210456823 ZCNDZNSKXIGXRD-ODLFYWEKSA-N 443.546 4.571 10 10 IJCE CC(=C\[C@H]1Sc2ccc(C)cc2N1CCO)/C=C1/Sc2ccc(C)cc2N1CCO 642773473 WVIDWEFUGHJZIT-QDHSAWJXSA-N 440.634 4.926 10 10 IJCE Cc1nc([C@H]2CCCCN2C(=O)c2cc(C)n(-c3ccccc3Br)c2C)no1 737880786 AEYJAKHJUFZWGR-LJQANCHMSA-N 443.345 4.915 10 10 IJCE Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(O)c1O 769638336 GDYDCSWQDDPKTM-HNNXBMFYSA-N 449.347 4.658 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 1219892242 AGNFFJUBHNFMLO-QGZVFWFLSA-N 447.329 4.570 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 1860084777 KOZYILQDEKRVPM-XNTDXEJSSA-N 430.352 4.811 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865650177 ZFQICXCZCVWWAH-LPYMAVHISA-N 428.488 4.553 10 10 IJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCCc3ccccc32)n1 1867974640 UNIYKVHOZUBACE-UHFFFAOYSA-N 443.595 4.849 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccc4[nH]cc(CN5CCCC5)c34)cccc21 1874179212 UABZLSVPFXBWQR-UHFFFAOYSA-N 449.510 4.791 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 1874180731 NMTJGZVNKKYNKZ-UHFFFAOYSA-N 435.361 4.609 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 1902366977 RLYFQGNNTBKYPN-KRWDZBQOSA-N 445.523 4.607 10 10 IJCE CC[C@@H](NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918427194 PZZWQTAOLXTOQI-MRXNPFEDSA-N 425.367 4.595 10 10 IJCE Cc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(OCCC(C)C)cc2)SC1=S 2314769326 ZFNYCXBSPQJXQX-UHFFFAOYSA-N 440.590 4.966 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2355098505 JAEKXULENPTEND-IOMROCGXSA-N 428.418 4.688 10 10 IJCE Cc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2380795363 KLZIHFMWOBWCIG-OAHLLOKOSA-N 441.410 4.836 10 10 IJCE Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1 11730626 JRKVZAKGWCFCHL-UHFFFAOYSA-N 445.331 4.656 10 10 IJCE COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(Br)cc1 33661390 PAMZFGBDQNPCCY-XDHOZWIPSA-N 426.310 4.943 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C)SC1=S 40938167 IHSFLYGEFVZUHM-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 40938462 PELOUCRLRNCGFI-UYRXBGFRSA-N 427.547 4.640 10 10 IJCE Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)c1 83327546 YLGOBLMWDCUUGS-XAJRUKRBSA-N 439.558 4.594 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2c(O)cccc2Br)CC1 1474300214 USZHTTXOSTZFBT-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc4nc(O)[nH]c4c3)cc2Cl)C1 1617902361 YQEJHMFNIRDWOI-MRXNPFEDSA-N 440.975 4.797 10 10 IJCE COC(=O)c1cnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)s1 1641151620 AGXYZHCOVDBSHU-UHFFFAOYSA-N 439.971 4.746 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1650803884 QHNUSTIWUVJAQK-ZDUSSCGKSA-N 429.389 4.985 10 10 IJCE CC1(C)CC(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)CC(C)(C)N1 1858589763 INIKPOVJORXDQL-OVCLIPMQSA-N 439.990 4.759 10 10 IJCE Oc1ccc(F)cc1Cn1nc(C2CCC2)c(I)c1C(F)(F)F 2079016088 GOJBOVRPYGBMHQ-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE CN(CCN(Cc1ccccc1)[C@H](CN)c1ccc2c(c1)CCCN2C)Cc1ccccc1 2095880916 HJWZNNDHRMJBNU-GDLZYMKVSA-N 442.651 4.703 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21)c1cc(Br)ccc1O 2121236688 PILGWOXEZJOIBQ-LLLHUVSDSA-N 425.367 4.593 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)ccc1NCc1c(O)cccc1Br 2268583119 IJJNBMUFKITZEM-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(C)C1=NN2C(=N)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 2293662218 MRBYOSMFDDDDPZ-UHFFFAOYSA-N 427.533 4.965 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)S1 2293746734 SSBFRCIXLMWLNY-UHFFFAOYSA-N 435.332 4.987 10 10 IJCE CCCN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)NC1=S 2297316637 JPAYKCWXIYEJJF-UHFFFAOYSA-N 449.345 4.635 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccs2)SC1=S 2314837587 UNOSDFLBNMKADP-SNVBAGLBSA-N 442.509 4.995 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccccc2Cl)C1=O)C(=O)O 2314932658 NVULLKNTJBRYHJ-OAHLLOKOSA-N 433.938 4.988 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2354576199 LVOMVXSLVBBBEI-ZZCKCESHSA-N 439.394 4.841 10 10 IJCE CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@H](c1cc(Cl)ccc1O)N2 65297996 FDYKZZGHTMXWHR-LJQANCHMSA-N 448.792 4.754 10 10 IJCE biogenic CC[C@@H](NCCC1(CNC(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 404667614 BCZGAEQBMRZCBU-MRXNPFEDSA-N 427.383 4.890 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)CC12CCC2 706809530 DFCDNYIKVZLCKV-CQSZACIVSA-N 425.367 4.567 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)CC1 1516471263 KTYKYEIYUMNWSE-UHFFFAOYSA-N 433.596 4.956 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951652203 MRGQQFDPKGLKLA-QFIPXVFZSA-N 433.460 4.542 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935580 UECWHXDCUZBRNF-LMNJBCLMSA-N 429.402 4.851 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2159217105 KNFVXMZHAWYWOU-IRTIRVBGSA-N 433.365 4.827 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188878866 POFYSDBIJIWEJX-REWPJTCUSA-N 428.418 4.659 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc(CNC3CCC3)c(Br)c2)C1 2240044944 RBODAJQFAIFLOZ-JOCHJYFZSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)NCc1cc(F)cc(NCc2cccc(Br)c2O)c1 2265802524 RSLPQTKBGYLYLD-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE Cc1ccc(OCCOc2ccccc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2296394049 LAHHEWKYWZMEIP-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccccc2)cc1 2313683328 XOPBLBBEGIKHIM-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 33693553 BNQNNPJGZQUDEN-BLJGQIRFSA-N 447.560 4.954 10 10 IJCE CCOc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)cc(Cl)c1OCc1ccc(F)cc1 96476596 VWLLUXFHKPGMIS-NVNXTCNLSA-N 448.903 4.554 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H](COCc4ccccc4)C3)ccc(N)c2C1 383988625 CFFKJLINVKSSIG-HXUWFJFHSA-N 437.584 4.605 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2cccc(Br)c2O)c1 687628688 KEXYZZDJBUNQKM-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE O=[N+]([O-])c1cccc([C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc2)c1 779022885 KCKJKZHGXSZSMI-RUZDIDTESA-N 435.499 4.574 10 10 IJCE Cc1cc(C(=O)Cc2nc(O)c3ccccc3n2)c(C)n1-c1ccc(Br)cc1 917260506 FODJQAPCSRBECF-UHFFFAOYSA-N 436.309 4.931 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cccc(C(=O)OC(C)C)c2)C1=O 1860086714 CKRMREUVTDDJAS-LDADJPATSA-N 437.546 4.614 10 10 IJCE CC[C@H](NC1CC(NC(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1998331057 MTYAPUAWILYWSO-TVPLGVNVSA-N 433.346 4.653 10 10 IJCE CC[C@H](N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2044403932 BMFFTCCSZDMBLT-SIKLNZKXSA-N 447.373 4.997 10 10 IJCE CC1(c2c(C3CCC3)nn(Cc3cc(F)ccc3O)c2I)CC1 2079747260 XZTXYLCLKQBMIJ-UHFFFAOYSA-N 426.273 4.700 10 10 IJCE CC[C@H](NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2087517782 QSAHYZTUDVTCGU-XOKHGSTOSA-N 427.383 4.889 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2ccc(Br)cc2O)C1 2100267599 XREUJCBAZQLTSE-RHSMWYFYSA-N 427.383 4.718 10 10 IJCE CC[C@@H](NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2115805128 ZUQKMIOZWYDNRW-UKPHBRMFSA-N 427.383 4.889 10 10 IJCE CC[C@H]1CN(c2ccc(C=CC(=O)O)cc2Br)CCN1Cc1ccccc1 2152156837 XDRNUVSYMNCAKF-IBGZPJMESA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2NCc2cccc(Br)c2O)C1 2156251746 QKDHLMFQFHDGRT-LAUBAEHRSA-N 439.394 4.814 10 10 IJCE CCC[C@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2157595839 VSOYIEPZPPNDHM-FQEVSTJZSA-N 445.373 4.953 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 2297348027 SYYJGKTUFWWKTG-UHFFFAOYSA-N 443.459 4.837 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC 2318756103 GTZAPONRMLMZTM-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 2321663933 SSBFGGYHRNRNPE-UHFFFAOYSA-N 442.606 4.951 10 10 IJCE COCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 6581395 JFXNCWMAPIYGGJ-XDHOZWIPSA-N 449.981 4.775 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2cc(-n3cnc4ccccc43)c(O)c3ccccc23)cc1 33703466 SHUNANFRNMTMRY-UHFFFAOYSA-N 429.501 4.994 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 33926467 IMOCWIUPCKLPPU-UNOMPAQXSA-N 431.404 4.978 10 10 IJCE CCOc1ccccc1/C=C1\C(=O)N(c2cc(C)c(C)cc2Br)C(=O)N=C1O 59860352 DWBICSPVRUUHRT-PTNGSMBKSA-N 443.297 4.971 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031283 ZKAOJHGDFVUOLN-ZNLUXHQJSA-N 428.418 4.960 10 10 IJCE Cn1ccc([C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccc(F)cc2)n1 775628591 CRMQAPMNGFASGS-XMSQKQJNSA-N 430.474 4.509 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Br)cc1 1860084910 XGCSITZBGHNQMA-MHWRWJLKSA-N 434.336 4.626 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2c(O)cccc2Br)C1 2100267607 XSMLWZPFBMJAJM-LSDHHAIUSA-N 427.383 4.718 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)S1 2293779410 AIPTYFQTDQYPCI-UHFFFAOYSA-N 439.295 4.818 10 10 IJCE FC(F)(F)c1ccc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 2330186225 NAWRESIFUFQTCB-UHFFFAOYSA-N 426.826 4.904 10 10 IJCE CCC(=O)OCCNc1cc(N2C[C@H](C)C[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 9641382 RUCUEZBJAOBDPY-HZPDHXFCSA-N 447.535 4.887 10 10 IJCE COc1ccc(-c2cc3nc(CN4CCCc5cc(OC)ccc54)[nH]c(=O)c3s2)cc1 22015461 FYKWXYHLXFBEOU-UHFFFAOYSA-N 433.533 4.622 10 10 IJCE COc1ccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)cc1 36220975 LTODSMYVPFUATC-UHFFFAOYSA-N 436.939 4.743 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1ccc(I)cc1Br 706994765 ZYTWPVYEEDFXAO-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1645680213 DGMMDRWRWPDBCO-IAGOWNOFSA-N 436.980 4.717 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(C)ccc4C)n4ccccc34)CC2)cc1 1858345422 NPQNZXISKILUCS-UHFFFAOYSA-N 440.547 4.589 10 10 IJCE CCCN(CCC)C(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344752 CZLZFPRTPLNPBA-UHFFFAOYSA-N 442.563 4.613 10 10 IJCE Cc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1Cl 1860715328 UFZGKJASHCLDNJ-UHFFFAOYSA-N 432.145 4.888 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(F)c2)sc(C)c1-c1ccc(C)cc1 1860748683 HNXYMASLHRRSOD-UHFFFAOYSA-N 426.469 4.535 10 10 IJCE COC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1-c1ccc(Br)cc1 1866088852 BSVKSXWJYXQIQE-UHFFFAOYSA-N 431.311 4.920 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2079999477 JRIOAIZSGHIWGK-GOSISDBHSA-N 432.362 4.724 10 10 IJCE CC[C@H](NC[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104259446 DWMNOJNWMMIONW-KEYYUXOJSA-N 427.383 4.841 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CC[C@H]1CCCN2Cc1ccccc1 2145618259 QSPFLKBRBUVNPR-XMSQKQJNSA-N 433.365 4.828 10 10 IJCE Cc1csc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)n1 2296766429 OAFJDAWRWMPEIA-UHFFFAOYSA-N 437.999 4.725 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)ccc1C 2297335450 NCFUUZFRVVUOJQ-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314831705 QGBZCOOBGQVJPB-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cccc(OC)c3O)C2)cc1 65298249 SLVGMWATYBELDI-HSZRJFAPSA-N 437.584 4.524 10 10 IJCE biogenic COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2OC)cc1 101474132 TVLJZBCQYARVGQ-LTGZKZEYSA-N 444.487 4.556 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 205691815 QDGXHJUTSIJAFF-QGOAFFKASA-N 441.534 4.523 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526270881 KBFUXKLXGJXLMV-OAQYLSRUSA-N 441.842 4.956 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715052844 DAKPJLFXAPGQLS-GWJPWWOOSA-N 429.402 4.993 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1 745850894 YYUAEIBYDRMBRS-REWPJTCUSA-N 428.646 4.819 10 10 IJCE COC(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(F)cccc1Cl 784064595 JITVGFLXFCJWKS-IBGZPJMESA-N 442.865 4.553 10 10 IJCE COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c1 1307627858 BTIMVPFZKIOHLM-OAHLLOKOSA-N 425.554 4.937 10 10 IJCE CC(=O)c1ccc(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 1559184039 RXFOCHRNFHCOKF-HXUWFJFHSA-N 442.516 4.541 10 10 IJCE Cc1cc2nc(CCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c2cc1C 1874179761 NXDKQDZMJGQSPI-UHFFFAOYSA-N 437.499 4.917 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3C(F)(F)F)CC2)cc1 1891622882 CPDYSBPAXKDTDC-UHFFFAOYSA-N 432.364 4.695 10 10 IJCE CC(C)(C)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1I 2078993692 IYHXFNOEEKWYKT-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OC[C@H](C)COc1ccccc1 2293628341 SKPPWZMHSUYYSZ-CYBMUJFWSA-N 449.981 4.931 10 10 IJCE COc1cccc(C=C2C(=O)N(c3ccccc3)N=C2C)c1OCc1ccc([N+](=O)[O-])cc1 2293771894 NYSOXCBFONKQLW-UHFFFAOYSA-N 443.459 4.989 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2nc3ccccc3[nH]2)SC1=S 2314926623 NUACLWQCNNYKLN-UHFFFAOYSA-N 431.583 4.970 10 10 IJCE O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1 33916059 JCSVDCROZQGKLW-BOPFTXTBSA-N 436.807 4.805 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3cccc(C)c3)C(=O)N=C2S1 34846824 OUGMNQNBIBCWAE-BACOSTCQSA-N 448.548 4.872 10 10 IJCE CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O1 58834049 MEGSZTLQTPQYIF-UHFFFAOYSA-N 439.807 4.865 10 10 IJCE CCOc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475563 XAMLNAKRSUBVCH-LDADJPATSA-N 447.403 4.760 10 10 IJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl 102465478 PVNHLDJCUXCHBA-MJJUSULESA-N 428.901 4.884 10 10 IJCE C[C@@H](N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1O 813878283 DXOCVWKQSVPDJR-CXAGYDPISA-N 425.367 4.595 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)cc2)CC1 1638586909 DVGHRJMKMRYGGO-UIOOFZCWSA-N 447.623 4.581 10 10 IJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1 1705731518 ZUTTUJGISJXPFW-QHCPKHFHSA-N 449.599 4.561 10 10 IJCE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1858033887 NTXAMNOCMGFYNT-UHFFFAOYSA-N 449.532 4.598 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccc1O 1860087761 RYKSQBANJVSRBX-OQLLNIDSSA-N 427.425 4.705 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668039 CARXNPWYBAPGCF-LFVJCYFKSA-N 442.515 4.851 10 10 IJCE O=C(/C=C/c1cccc(Br)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866124760 YSBUSKPOGNEFJP-VAWYXSNFSA-N 432.273 4.876 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl 2079856723 USTZMNZJXVKMMZ-OAHLLOKOSA-N 432.826 4.836 10 10 IJCE CC(C)(C)c1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O 2293618973 KWWIYHYUHFFYGF-UHFFFAOYSA-N 438.499 4.793 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OCC)SC1=S 2314769453 QSPQNUHPYQGEAW-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 2321646857 NETMWZCXJHYXHG-UHFFFAOYSA-N 430.898 4.610 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3cccc([N+](=O)[O-])c3)C1=O)cn2C 2321706242 BAAJPPKLBHVDQP-UHFFFAOYSA-N 425.491 4.501 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114688 GKYIJCCXXSIQPR-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CCN(CCCCC(=O)NCc1ccc(C)c(Br)c1O)C(=O)OC(C)(C)C 2380739410 JQKSTBOQKFZJRZ-UHFFFAOYSA-N 443.382 4.507 10 10 IJCE COc1ccc(C2(Nc3ccc(Br)cc3F)C(=O)c3ccccc3C2=O)cc1 9606195 WRDOWRBMAOVZDX-UHFFFAOYSA-N 440.268 4.983 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 20681406 RSUIRCPPZHVEQY-IECBHUPTSA-N 434.517 4.725 10 10 IJCE COc1ccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)cc1 33320634 QJCBWCBVVYHVTI-UHFFFAOYSA-N 432.911 4.971 10 10 IJCE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1Cl 103719335 FPZZBLJBIHHNID-XYSCVJGBSA-N 439.924 4.883 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H](COCc4ccccc4)C3)ccc(N)c2C1 383988624 CFFKJLINVKSSIG-FQEVSTJZSA-N 437.584 4.605 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@H]2c2ccc(O)c(O)c2)cc1 526186003 WPHSYBJXTNYVSW-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE Cc1cc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)n1-c1ccccn1 727412207 CDJDWISHPMGYOW-QHCPKHFHSA-N 448.954 4.731 10 10 IJCE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(Br)c1 742799168 HXUKXHWHLBNSDG-GFCCVEGCSA-N 431.302 4.511 10 10 IJCE Cn1ncc(Br)c1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 778249270 XNCPKAKEKGPUJQ-XGICHPGQSA-N 449.182 4.895 10 10 IJCE Cc1oc2c(CN3CCn4c(C(C)C)nnc4[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 783969843 VHGJYHXZUHGCOP-MRXNPFEDSA-N 444.535 4.766 10 10 IJCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 808092963 CBHLAFLBSITHLM-UHFFFAOYSA-N 435.929 4.775 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1650803883 QHNUSTIWUVJAQK-CYBMUJFWSA-N 429.389 4.985 10 10 IJCE Cc1cc(C)c(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c(C)c1 1860715237 FENAWPVLSWBGNR-UHFFFAOYSA-N 425.754 4.852 10 10 IJCE Oc1c(Cn2nc(-c3ccccc3)cc2I)cccc1C(F)(F)F 2070035162 CFILWCVSOKVDIW-UHFFFAOYSA-N 444.194 4.927 10 10 IJCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 2093493665 RZWNOSBILAFSDV-MLGOLLRUSA-N 447.801 4.933 10 10 IJCE CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C1CCC1)c1cc(Br)ccc1O 2137702394 QOPZLVHCPIYWQQ-SJORKVTESA-N 427.383 4.889 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260784 GSRIGMRQRMXRMC-LYHRCORUSA-N 428.418 4.960 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2151262578 QBSKGDSAKCBYJH-AERCQKQUSA-N 428.418 4.800 10 10 IJCE Brc1cc(N2CCCN(Cc3ccccc3)CCC2)ccc1CNC1CC1 2152576463 WQQIAFLWHACHOE-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE CN1CCc2cc([C@@H](N)c3cc(NC(=O)OC(C)(C)C)ccc3Br)ccc21 2163133731 PCLJUWFPWJLKPV-LJQANCHMSA-N 432.362 4.837 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@@H]2CCCC[C@H]21 2179394133 XLWZVTAXEVOWLN-RYQLBKOJSA-N 439.394 4.670 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2Br)C[C@H]1C(F)(F)F 2264568423 FWOKLUQEESDTDW-MFKMUULPSA-N 438.288 4.774 10 10 IJCE Cc1ccc(CN[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(O)c1Br 2380799160 WMRFTEFOZUZBCS-ZTFGCOKTSA-N 439.394 4.587 10 10 IJCE COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(F)cc2)c1C 33313323 AFHDAYSQBMTACC-YDZHTSKRSA-N 445.494 4.501 10 10 IJCE CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1C 108691723 FCSDOFPAWBMPQO-UHFFFAOYSA-N 429.517 4.556 10 10 IJCE O=[N+]([O-])c1cc(/N=N/c2c(O)ccc3oc4ccccc4c23)c(O)c(S(=O)(=O)O)c1 166962180 ZHOAJYYZODYLHO-FMQUCBEESA-N 429.366 4.568 10 10 IJCE COC(=O)c1c(NC(=O)c2nccs2)sc(C)c1-c1ccc(Br)cc1 1866165618 SHZGPJSKMJDMPI-UHFFFAOYSA-N 437.340 4.981 10 10 IJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(C)(C)c3ccccc32)n1 1869131439 SLFQVHHYCQSTFL-UHFFFAOYSA-N 443.595 4.804 10 10 IJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12 2293163815 HZGRMVFEDYVJLT-UHFFFAOYSA-N 446.528 4.924 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 2296397853 BQVAAFIAQUBTKY-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2296882464 VXJIMNKBGXBACU-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE O=C1C(=Cc2ccc(OC(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 2313609935 OSJPCLNPSZBFLO-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE CC(C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 2314764854 NZHWRSFPYZWYTB-UHFFFAOYSA-N 432.954 4.673 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccccc1C(F)(F)F 2314827934 PMCXGTQWTHVLJN-UHFFFAOYSA-N 440.443 4.684 10 10 IJCE COc1ccc(N2N=C(C)C(=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 2332133822 FLLIQMOLIGYEPI-UHFFFAOYSA-N 442.471 4.729 10 10 IJCE O=C1/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC(=S)N1N1CCOCC1 35519422 XDZXFHOUZLJERV-GDNBJRDFSA-N 441.361 4.702 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)c(O)c1 38160156 FAYPXQOSUJJRMR-ZHZULCJRSA-N 429.476 4.898 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526175761 HVWBOOHQRBZMBZ-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1O 1307555356 RUARBKUCZWFHIK-HNNXBMFYSA-N 429.879 4.817 10 10 IJCE Cc1cc(C)cc(-n2nc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)cc2C)c1 1866288366 CBDIDISDJKMGCS-UHFFFAOYSA-N 440.503 4.785 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873167892 BXHHTAGCAMDFAV-QGZVFWFLSA-N 445.538 4.901 10 10 IJCE Cc1cc(O)c([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1C 1953058473 JRVVUVYTWORLMT-YIXXDRMTSA-N 443.499 4.848 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NCc2cc(Cl)cc(Br)c2O)C1 1965962785 YKZJVGNEIQKLOX-OAHLLOKOSA-N 447.801 4.933 10 10 IJCE CCN(CC)c1ccc([C@@H](NC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764250 JSXZDTWPDTZPDR-DNQXCXABSA-N 441.616 4.903 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1 2296441718 HMYQQMKBGJWRRU-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1 2297467791 UCXSWHAITWKZCZ-UHFFFAOYSA-N 435.553 4.768 10 10 IJCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2297471398 RJEZTUQTZPBOHW-UHFFFAOYSA-N 433.512 4.746 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)S2)C[C@@H](C)O1 2314480709 KXWNMAFBORCRNF-HDICACEKSA-N 444.560 4.619 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314827541 HDPIJOFSFQFMGI-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1OC)C(=O)O 2314934434 ZSSYUZIZNOYWCG-MRXNPFEDSA-N 443.546 4.651 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1O 2321646769 LFLFERWATXTQLF-UHFFFAOYSA-N 436.898 4.758 10 10 IJCE Cc1ccc(CNCC[C@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352680315 PSTSHIOJDUKJIU-MRXNPFEDSA-N 427.383 4.732 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S 6470514 ZRQVYUFAEXYWNY-KGENOOAVSA-N 443.590 4.991 10 10 IJCE CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)C(=O)N=C2S1 27531186 OCCNUAHACFAAAF-ZQFCNSAKSA-N 448.548 4.790 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O 28963845 IHQIASNNSLPAOU-DHDCSXOGSA-N 436.352 4.878 10 10 IJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3ccccn3c2=O)SC1=S 33492895 KFYBXIWLSAESAF-WIZMWCRPSA-N 444.626 4.544 10 10 IJCE CN(C)c1ccc(Cn2nccc2NC(=O)c2cc(Br)ccc2Cl)cc1 98080252 YIPYQPOFYSHCJS-UHFFFAOYSA-N 433.737 4.666 10 10 IJCE CC(C)(C)OC(=O)NCCOc1cccc(NCc2cc(Br)ccc2O)c1 312186073 GOHMDRVLJRUFRI-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708072618 GWBHQZFRXODLKM-RISCZKNCSA-N 433.774 4.686 10 10 IJCE CCN(Cc1ccccc1)c1ccc(/C=C\c2nc(O)c3cnn(-c4ncccn4)c3n2)cc1 746519305 BSSHFUJFCLZYHC-KAMYIIQDSA-N 449.518 4.508 10 10 IJCE Cc1cncc(/C=C\C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)c1 799381403 ZQHFNSMLEJMIHW-DJWKRKHSSA-N 431.721 4.776 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1OC 1083993255 KMZPFFMYJBJAMW-GIJQJNRQSA-N 434.970 4.936 10 10 IJCE CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2)cc1 1301350733 XHMYMYYDFLHPQV-UHFFFAOYSA-N 444.531 4.573 10 10 IJCE C/C(=C\C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1OC(F)F 1630550325 NKUDNMSYXGYNCD-JOQXAKKRSA-N 448.485 4.760 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(O)cccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866411514 DUNGYOLFNXWWCN-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951861593 SQMJOSJCJANXDZ-QHCPKHFHSA-N 447.487 4.788 10 10 IJCE Oc1ccc(C(F)(F)F)cc1Cn1nc(-c2ccccc2)cc1I 2070039152 NDKLLZLRNYEHGT-UHFFFAOYSA-N 444.194 4.927 10 10 IJCE CC[C@H](NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2087517779 QSAHYZTUDVTCGU-COXVUDFISA-N 427.383 4.889 10 10 IJCE Cc1ccc(-n2cccc2C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 2297346882 VEUHYYMJJRLXED-UHFFFAOYSA-N 425.517 4.648 10 10 IJCE CN(C)c1ccc(C=C2SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 2297451103 LKPYMIVNGOGLRX-UHFFFAOYSA-N 432.343 4.621 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)cc1 2313560378 RIHPKJFKXURTEQ-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE CC(C)COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1 2321706144 KVVKZRBVDPVHEP-UHFFFAOYSA-N 427.547 4.898 10 10 IJCE Oc1cc(Br)ccc1CNc1cc(F)c(F)cc1I 2351717960 MHZIRFMLTJHECD-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE Cc1ccc(CNCC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380803224 HBGJECIXRQIGLT-KKSFZXQISA-N 439.394 4.590 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)ccc1OCCC(=O)O 16920121 VORUQOWDKQFBSO-LDADJPATSA-N 446.912 4.675 10 10 IJCE Cc1cccc(C)c1OCCCOc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1 103703941 JNHHXNWXNGVUMG-NCNWTYLVSA-N 433.533 4.928 10 10 IJCE CCC[C@@]1(CNCc2c(O)cccc2Br)CCCN1C(=O)OC(C)(C)C 706822192 WZWCCGRPYMBYMU-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE COc1ccc(N2CCN(C(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1858087592 ZNHRUBSCUNLKFI-UHFFFAOYSA-N 436.502 4.844 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 1860087033 WIBHZOVQPWJDFZ-GZTJUZNOSA-N 428.491 4.567 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)cc(Br)c1O 1865667304 QDXFGPTXUSBGSW-OQLLNIDSSA-N 447.304 4.884 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873167214 WRTAKCCOTLLXJE-UHFFFAOYSA-N 431.511 4.511 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CC(C)C)C2=O)cc1 1873168796 JVPPMQJMFMBZFN-UHFFFAOYSA-N 447.604 4.724 10 10 IJCE CN(C)c1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1951376299 WJLUPIUCWRJLRO-QHCPKHFHSA-N 448.494 4.946 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CNCc1cc(Br)cc(F)c1O 1965974216 GQYVEEYXHOFBBB-OAHLLOKOSA-N 443.357 4.563 10 10 IJCE CCN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2044752042 HYXHMTWGCICZHO-LADGPHEKSA-N 441.616 4.903 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OCC)c(OC)c3)SC2=S)cc1 2297360317 HXWUBUXKTIKLKV-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc5ccccc45)N=C3C)sc2c1 2297511466 NAZFCJITAOKFML-UHFFFAOYSA-N 428.517 4.989 10 10 IJCE COc1cc(OC)cc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 2321741913 YHWVCIYSTXEGBG-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2328960303 IKVTXPVFDBODJC-QSPRXWTASA-N 425.367 4.593 10 10 IJCE CC[C@]1(C)[C@@H](NCc2ccc(C)c(Br)c2O)CCN1C(=O)OC(C)(C)C 2352683704 JZXMEBLQAVYSNZ-MGPUTAFESA-N 427.383 4.731 10 10 IJCE CCCCN(C)C[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20439408 IFSFJGUUHNSKEH-DZQSVEARSA-N 444.579 4.540 10 10 IJCE N=C1/C(=C\c2ccc(OCCCOc3ccccc3Cl)cc2)C(=O)N=C2SC=CN12 33705290 IEKVVVMIODQUSC-IMIHHMTGSA-N 439.924 4.965 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)c(O)c2)c1 526457830 ZBDZEVIUXFWJBJ-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCOc1ncc(/C=C/C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cn1 1866257073 VRSJOLMPHJSIOQ-DHZHZOJOSA-N 437.521 4.659 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2160684513 ZECPNWHFRCJIGL-CUWPLCDZSA-N 428.418 4.830 10 10 IJCE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 2293476793 SZQDEDQUDRUKPU-UHFFFAOYSA-N 441.361 4.687 10 10 IJCE O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297327354 UYYGRDKIWDLNDC-UHFFFAOYSA-N 443.684 4.824 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932339 MKOVKWOBZPHTNJ-UONOGXRCSA-N 443.546 4.510 10 10 IJCE CN1C(=O)COc2cc(N3C(=O)C(=Cc4cccc5ccccc45)SC3=S)ccc21 2321736760 YDLGGGQQYFTLLI-UHFFFAOYSA-N 432.526 4.601 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1 14461922 PXWIPSUJTYSWJM-FXSPECFOSA-N 444.623 4.747 10 10 IJCE CC[C@@]1(CNCc2c(O)cccc2Br)CCCCN1C(=O)OC(C)(C)C 706822199 XUBWZDXOIUSVOA-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE COc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1O 1865664125 BAQMHCFZLVDODJ-XFFZJAGNSA-N 428.769 4.537 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163898 BTXKTRHUECAMJM-MRXNPFEDSA-N 433.577 4.824 10 10 IJCE CC[C@H](N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 1998332769 BRPNILYKYLECCK-OTWHNJEPSA-N 433.346 4.653 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2078980701 IPZSNTQOZDGMPK-QGZVFWFLSA-N 438.309 4.827 10 10 IJCE CC[C@@H](N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2097282757 GWMDEXPKWOMZFD-GOEBONIOSA-N 445.423 4.548 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1Br 2190540830 NCDIFCIEJUYIPT-XHRGMSINSA-N 429.402 4.989 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccccc2I)cc1Br 2280269194 BEUUQTBBXOXUOL-LLVKDONJSA-N 446.126 4.743 10 10 IJCE O=C1NC(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 2294040513 LHJGEHIUJBWGAJ-UHFFFAOYSA-N 434.298 4.826 10 10 IJCE Cc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 2296937114 RIWZFVRFJLHDAH-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE CCc1ccccc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C 2297453020 HOEAEDWGVLICEA-UHFFFAOYSA-N 431.277 4.572 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccs2)SC1=S 2314837105 OIEBDMNZNSBPLE-JTQLQIEISA-N 442.509 4.995 10 10 IJCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 2314930317 AYRKJAUPTUBFRL-UHFFFAOYSA-N 437.901 4.738 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C(C)=O)c2)C1=O)C(=O)O 2314934447 ZVIKUZRVCAMBRQ-QGZVFWFLSA-N 441.530 4.537 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cccc2Br)[C@H]1C(F)(F)F 2344109715 IENBRLMROJXCDC-OCCSQVGLSA-N 438.288 4.774 10 10 IJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)ccc1O 20071143 VQGQNQAGLUBZIK-DFBJGRDBSA-N 432.476 4.666 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N2O1 20236270 QSKFSBQESYDNBE-HRXHUYTNSA-N 437.883 4.557 10 10 IJCE Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1 96946001 RIJZCJMMMLFRCE-UHFFFAOYSA-N 435.528 4.821 10 10 IJCE Cc1cc2c(n1-c1ccc(I)cc1Br)CCCC2=O 302327060 FRMMYXXEONUVBZ-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1O 687755245 TYCCQZPOHQLABB-VWLOTQADSA-N 435.451 4.760 10 10 IJCE Cc1cc(CNC(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)c(C)n1-c1ccccc1 1287661217 PJCSAFVLVLPGFE-GOSISDBHSA-N 446.576 4.681 10 10 IJCE C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1525805731 IGUXQHKMCXHPFL-PTNGSMBKSA-N 438.877 4.915 10 10 IJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCN1CCC 1705606317 ZMBLSSHSYGDNBQ-DEOSSOPVSA-N 444.627 4.687 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OC 1860085859 ORJURBITVROMHQ-LDADJPATSA-N 429.519 4.588 10 10 IJCE COc1cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)cc(Br)c1OC(C)C 1865671831 QMPNUVDNCGHRJS-YBEGLDIGSA-N 429.314 4.505 10 10 IJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951870469 VVVDNMIBGBBRLY-QHCPKHFHSA-N 447.487 4.788 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2080003932 TVJYHTLLGLWTIP-KRWDZBQOSA-N 432.362 4.508 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc(C)c(C)c4)c3)C(=O)N=C2S1 2297306521 RGIUBTQBHXKZJS-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100039 FLSPLLGXLWCUOI-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2O)C(C(F)(F)F)=NN1Cc1cccc(F)c1 2332124699 HDUMURZXDTUDND-UHFFFAOYSA-N 443.194 4.638 10 10 IJCE COc1ccc([C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c2nccn2C)cc1 29813986 FAXZZERTVDXINW-DEOSSOPVSA-N 428.536 4.664 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1 33323841 UTKNOSRPYKTUEW-CPNJWEJPSA-N 426.563 4.542 10 10 IJCE O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C1CCCCC1 40562457 PGYHKVSZUBFDEI-HKWRFOASSA-N 439.606 4.605 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526143661 IGELGTHKOXGIFZ-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 526248978 YYPAIQHGRFRDQV-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705626676 YQOXLUPTOMRUON-NHCUHLMSSA-N 428.418 4.515 10 10 IJCE CC(=O)c1cc(F)cc(CN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)c1O 1307921545 MLHAHHABOCZCJZ-IBGZPJMESA-N 428.504 4.580 10 10 IJCE C/C(=C/c1cccnc1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1538918064 CPUYGLCSPREKJL-KAMYIIQDSA-N 434.297 4.596 10 10 IJCE COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCc3c(c4cc(Cl)ccc4n3C)C1)CC2 1858153549 LMBPATQMYBEQPB-MRXNPFEDSA-N 438.955 4.539 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1860076587 MMIMMJMHFDSMGD-SFQUDFHCSA-N 428.491 4.567 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079039397 CASMGOAVNCVHQV-MRXNPFEDSA-N 439.341 4.771 10 10 IJCE CC[C@H](NC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2152866177 SGVOJURDOKXFIK-WBVHZDCISA-N 439.394 4.985 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c(Br)c1 2190538897 BFRSKLJNUGQBMV-IHFIDZABSA-N 429.402 4.989 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 2297307207 HQDDUWKXTQCULM-UHFFFAOYSA-N 434.521 4.564 10 10 IJCE CC(=C1SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)c1ccc(Br)cc1 2314536819 ZFQFAYBQCQDRAP-UHFFFAOYSA-N 448.363 4.872 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 2314764458 CSPYVYBTVCLYAF-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE CCCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2c2ccccc2)cc1OC 2332114583 UOGZPGLHSXKLOX-UHFFFAOYSA-N 443.341 4.896 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccccc2NC(=O)c2nsc3ccccc23)cc1 8600173 VMZGCDZEXLQELR-UHFFFAOYSA-N 430.533 4.545 10 10 IJCE COc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@@H]21 14546046 NHJNLFGLHGVUEZ-OHUGHZGNSA-N 438.593 4.942 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=S)N(C(=O)c3ccc(Br)cc3)C2=O)cc1 33437086 CNZZGJAXTWKUMC-WJDWOHSUSA-N 447.379 4.557 10 10 IJCE O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C1/C(=O)Nc2ccc(Br)cc21 34240463 TXRISJCITSZVBK-BUHFOSPRSA-N 434.702 4.507 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1 226705149 PXWIPSUJTYSWJM-UMFSSWHCSA-N 444.623 4.747 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705900333 GZZSQULNXNGPMO-NLSFWIRASA-N 429.402 4.851 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 705959395 YEUWLPBNDKYNSC-QMMLZNLJSA-N 428.418 4.688 10 10 IJCE COc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c12 778211865 OBFWBJRINWZRAO-UHFFFAOYSA-N 441.491 4.889 10 10 IJCE CC(=O)c1csc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c1 1289508922 TYKIUNPGTLRWBD-UHFFFAOYSA-N 441.310 4.675 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 1860086820 JPJTXWPMHCBIBM-QGOAFFKASA-N 442.518 4.958 10 10 IJCE COC(=O)c1c(NC(=O)CCCC(=O)N2CCCC2)sc(C)c1-c1ccc(C)c(C)c1 1866189179 FKPLRPFWFHRMNO-UHFFFAOYSA-N 442.581 4.858 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951656518 CPHJKHABWGEKAR-NRFANRHFSA-N 433.460 4.542 10 10 IJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3)o2)SC1=S 2040480316 MWZSNBQSTNQRNQ-OAHLLOKOSA-N 433.576 4.663 10 10 IJCE CCN1CCc2cc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044718588 KGUHYXCKOFYDIA-NWVWQQAFSA-N 440.584 4.601 10 10 IJCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl 2296580453 UOLLCFAPZDSDLM-UHFFFAOYSA-N 429.181 4.679 10 10 IJCE O=C(O)COc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 2297303344 QOWSIQORRACASI-UHFFFAOYSA-N 439.436 4.575 10 10 IJCE Cc1ccc(CNC[C@]23CC[C@@H]2CCCN3C(=O)OC(C)(C)C)c(O)c1Br 2381128760 ZJGOMSIXLPANSD-HRAATJIYSA-N 439.394 4.732 10 10 IJCE CC[C@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Br)cc2)C1=O 11636727 YFVMBPVOFUGSLX-CQSZACIVSA-N 429.405 4.587 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 33326833 GRLMJFOHOMPAJA-NVVUQHMZSA-N 447.585 4.837 10 10 IJCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)c2ccccn2)cc1 40318081 KCFUKLHLMDCKJT-HXUWFJFHSA-N 446.378 4.901 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)N=C2c2ccc(C)cc2)cc1 59232605 MYCHVNXIYRIWFX-JCMHNJIXSA-N 428.488 4.855 10 10 IJCE CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 770292454 QHXHNEAEIIVAKK-QHCPKHFHSA-N 444.491 4.851 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC)N1CCCC1 1705835855 WWKQQSIWXPNKNE-QFIPXVFZSA-N 432.616 4.849 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1OCC 1860086818 JMTKQQGFXGUYPX-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865933350 NGEDWTDCORSYHB-FDDCHVKYSA-N 429.992 4.517 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNCc1cc(Br)cc(F)c1O 1962838383 MVXVXJVSEJKSHQ-HNNXBMFYSA-N 431.346 4.563 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080008414 SKUIXZALZCKVAR-GOSISDBHSA-N 449.345 4.803 10 10 IJCE CC[C@@H](N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2097282756 GWMDEXPKWOMZFD-GDBMZVCRSA-N 445.423 4.548 10 10 IJCE CC[C@H](NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104676080 KQIAEEFBLSQYHR-JXFKEZNVSA-N 427.383 4.843 10 10 IJCE Cc1ccc(CN2C(=O)NC(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 2296285359 ZSOWBSGDNLGBBB-UHFFFAOYSA-N 436.851 4.700 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2ccccc2)cc1 2297300058 MEVABVAPVJZIJB-VWLOTQADSA-N 432.545 4.562 10 10 IJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Cl)cc1 2297347540 FUTFITPKMAYNIU-UHFFFAOYSA-N 437.883 4.768 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2321591075 QYSXOPBZTZJWDK-UHFFFAOYSA-N 443.546 4.764 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C3CC3)C2)c(O)c1Br 2381132350 ZXAJNPSOKUGVCX-IAGOWNOFSA-N 439.394 4.731 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14468037 BAQMRKDOPOOFSK-STXHMFSFSA-N 433.335 4.902 10 10 IJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C\c4ccccc4O)N=C3c3ccccc3)sc2c1 33304419 PCZWXXRBCMCICT-LDADJPATSA-N 441.468 4.535 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 33706624 NXHOMYSTNIQYSW-YVLHZVERSA-N 430.507 4.722 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 33723696 TYYAHXFZBPRGJR-UHVIJJLKSA-N 444.626 4.605 10 10 IJCE CCOc1ccccc1NC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 58929730 ZYMUWHYMAFIATM-UHFFFAOYSA-N 439.556 4.837 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccccc3C)C(=O)N=C2S1 102465140 WQWMOILPLUORII-VTDKPVKJSA-N 448.548 4.872 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)[C@H](O)CCCCCN2C 257178585 BXICVTPIIRSPMW-AREMUKBSSA-N 435.612 4.993 10 10 IJCE Cc1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(C(C)C)cc1 726949232 WXOCAPUYFNZPCG-UHFFFAOYSA-N 449.517 4.891 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)ccc1N1CCCCC1 1202457459 QHHLOUOXRCFXLF-KNQAVFIVSA-N 430.390 4.844 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)c1O 1860086994 UTWJIQDPJWTHJY-LDADJPATSA-N 443.546 4.762 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(Cl)cc1 1860646215 LJJDFVLNHKOHHE-MRXNPFEDSA-N 448.972 4.751 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658578 MEEFTXSEIGPARP-NBVRZTHBSA-N 434.879 4.897 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NCc1cccc(Br)c1O 1924817542 KCQIQHMLRWPGRM-QAPCUYQASA-N 439.394 4.718 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NCc1c(O)cccc1Br 1924834062 ARNNLUDANVXTTJ-RDTXWAMCSA-N 439.394 4.718 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079038289 YBMIPQPUSNLSNM-INIZCTEOSA-N 441.357 4.503 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 2098524844 JCFBFLRJCPGHPF-SWLSCSKDSA-N 447.801 4.981 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@@H]1CCN(Cc2ccccc2)CC12CCC2 2154936691 MQLGPNIVHZNFAM-HXUWFJFHSA-N 433.365 4.828 10 10 IJCE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2243917305 RDEJKPNILOPRFE-QGZVFWFLSA-N 447.539 4.995 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc1OC)C(=O)O 2314931888 IVWJBQRSZIJGDH-INIZCTEOSA-N 443.546 4.651 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccco4)S3)[C@H](c3ccccc3O)C2)cc1 2314952067 RNXFMHYAYRSJJF-FQEVSTJZSA-N 445.500 4.815 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2328960302 IKVTXPVFDBODJC-PQEBFOHHSA-N 425.367 4.593 10 10 IJCE Cc1ccc(CNC2C[C@@H]3C[C@H](C2)CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381134072 XKPHRSAGJFPUGD-FKEKPDDDSA-N 439.394 4.588 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1Br 2381134422 CBYBTNXIARUEGH-GVDBMIGSSA-N 439.394 4.588 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471384 FCMNBQMWLLCLLL-HOIFWPIMSA-N 441.915 4.841 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 100276870 YZEDETKRARWSQR-HZHRSRAPSA-N 429.472 4.731 10 10 IJCE Cc1cc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)c(C)n1-c1ccccn1 108807759 BCBROUPUGBVFCA-SFHVURJKSA-N 426.314 4.505 10 10 IJCE O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 761987307 NWZMDDBPMGELLQ-SFQUDFHCSA-N 442.840 4.578 10 10 IJCE COC(=O)C(C)(C)[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 767141093 OIKIPNYXOGHGKH-QHCPKHFHSA-N 437.584 4.759 10 10 IJCE Cc1cncc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C/c3cncc(C)c3)c(F)c2)c1 772153359 SDMSCGXPTSFTSG-MVTUOISNSA-N 430.483 4.561 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C 1084374003 DDKAOXGOVOOZML-LPYMAVHISA-N 443.507 4.523 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OCC 1860085890 RQPWWWVTIRGKOP-LDADJPATSA-N 429.519 4.588 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NCCC(C)C)sc(C)c1-c1ccc(Cl)cc1 1860758832 QVMZGVMKORPHJH-UHFFFAOYSA-N 436.961 4.654 10 10 IJCE CC(C)c1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865934536 IDTKRTGYCLNXNA-RLWLMLJZSA-N 437.628 4.987 10 10 IJCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1 1915046574 ZEOOJNCLHFBFJE-UHFFFAOYSA-N 425.374 4.582 10 10 IJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079873137 KTGYQYJULLIIEL-HNNXBMFYSA-N 447.276 4.720 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1 2297470355 DAIPJTPKFQBRSW-UHFFFAOYSA-N 441.944 4.785 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314936670 ZSLGNQKPJQKVJU-MRXNPFEDSA-N 443.546 4.733 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)c(OC)c1 2321647276 CTXBGNUIPUOPDM-UHFFFAOYSA-N 440.546 4.610 10 10 IJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323829752 OLSOODGINBZQJH-YWZLYKJASA-N 441.574 4.966 10 10 IJCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1Br 2381128957 BVXWBUUSGBZCCB-HNNXBMFYSA-N 439.394 4.732 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1 210433119 WSQIOAWMDUFRKQ-UYRXBGFRSA-N 427.547 4.898 10 10 IJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@@H]1Cc2ccccc21 803272644 AZDMUEVYCSHWJE-BRFSQIRFSA-N 429.588 4.613 10 10 IJCE COC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1860086032 FPPAREZYDXLKJJ-NTUHNPAUSA-N 449.966 4.550 10 10 IJCE CCCCCCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1860602465 JYJGCKDJZCJNJQ-UHFFFAOYSA-N 446.547 4.610 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCCN2C 2044731766 XNWGOXLHLQMQQO-GLYQVZKVSA-N 440.584 4.601 10 10 IJCE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 2049137159 DGPNGMYFMILPQG-GFCCVEGCSA-N 435.790 4.933 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C3(C)CC3)c2I)c1 2079772631 OXTIASFDFNUYPJ-UHFFFAOYSA-N 440.325 4.599 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2234716294 UMGVYHAPKAYDHC-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2314766561 AVAJINGITZBBPV-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE CC(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2-c2ccc(F)cc2)cc1 11730811 GPYXZMFGIPUICO-UHFFFAOYSA-N 436.512 4.612 10 10 IJCE COc1cccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c1 20071338 SOZUXTOOUCMDTD-OFVILXPXSA-N 432.476 4.660 10 10 IJCE Cc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccnc1 33441717 KVYQGOLKVLYRGT-ODLFYWEKSA-N 436.518 4.803 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C(C)=O)c2)c2ccccn2)cc1 54120913 SXSCCBIFZUHNOU-RUZDIDTESA-N 447.579 4.577 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@H]1c1cc(Cl)cc(Br)c1O 1952537210 JZDLQRDZGFHWIJ-RNCFNFMXSA-N 434.714 4.581 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2NCc2cc(Br)ccc2O)C1 2156249938 DKOYUEVKPNDSEF-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3ccc(Br)cc3O)CCC[C@H]12 2165301587 HXVWHILLHOAGDL-RXVVDRJESA-N 439.394 4.814 10 10 IJCE CN1C(=O)C(=C(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)SC1=S 2314486294 JYNBBNJIMVOCEX-UHFFFAOYSA-N 436.480 4.631 10 10 IJCE CC(C)COC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S 2314741209 WBLXJSNDWPLZFW-UHFFFAOYSA-N 441.574 4.666 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314832119 ZWBWYXXRBCQBLC-UHFFFAOYSA-N 444.553 4.845 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 2321582969 OJZFRPVFQAKSKS-UHFFFAOYSA-N 426.563 4.566 10 10 IJCE C/C(NCc1ccc(F)cc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17096820 CDSIYTAAHKWRTA-CJLVFECKSA-N 430.439 4.549 10 10 IJCE CCC(CC)CNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 23334684 RNLKTUSRWJNDGK-UHFFFAOYSA-N 446.595 4.736 10 10 IJCE O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 33316114 VDCPHYHNJOHNIC-HMMYKYKNSA-N 435.530 4.829 10 10 IJCE CC(C)(C)OC(=O)NCC1(NCc2cc(Cl)cc(Br)c2O)CCCC1 708072690 IGSFUEAJKWIAJF-UHFFFAOYSA-N 433.774 4.735 10 10 IJCE CN(c1ccc(CNC(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1)C1CCCCC1 743567360 PTYVFVFZBQXKJO-RUZDIDTESA-N 445.611 4.972 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Cl 2079857293 YXGOKBYRKOSGTO-HNNXBMFYSA-N 432.826 4.836 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@H]2CCCC[C@H]21 2179398477 PGHBNKYJSZLQTF-CGTJXYLNSA-N 439.394 4.670 10 10 IJCE COc1ccc(CNCc2c(O)cccc2Br)cc1NC(=O)OC(C)(C)C 2284168242 ZFIRDKFEBPCUIG-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1 2294216886 LYSNBPOVFZJFPB-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE COc1cc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)ccc1O 2314926131 BMRNLVPPHNNCHN-UHFFFAOYSA-N 437.583 4.807 10 10 IJCE Cc1ccc(CNCc2cnc(NC(=O)OC(C)(C)C)s2)c(O)c1Br 2327793512 VIMZHLXQZHHJHI-UHFFFAOYSA-N 428.352 4.556 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 14466631 YFVIWWKOABGUEL-YWYGCRHHSA-N 444.984 4.624 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCCC(=O)O 16919493 BSBZKULIHZVVLE-CPNJWEJPSA-N 443.546 4.653 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)ncn4-c3ccc(C)cc3C)CC2)cc1 44112465 HODNIMRTJVUAMO-UHFFFAOYSA-N 440.547 4.613 10 10 IJCE COC(=O)C(C)(C)[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 767144835 FHDJGTQANYKVSW-QFIPXVFZSA-N 436.508 4.638 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1O 1660452642 JNPWMLOYGLUIJS-GOSISDBHSA-N 448.579 4.983 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1OCC 1865665160 DPBDZFXMEXUGFN-BOPFTXTBSA-N 436.405 4.967 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cc(F)ccc4C)c3)CC2)cc1 1872849100 KPXFYCCNBWPNKS-UHFFFAOYSA-N 434.511 4.684 10 10 IJCE Cc1csc(COc2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)n1 1891521318 ZCZNPIWOXPQLCL-UGKGYDQZSA-N 433.577 4.949 10 10 IJCE CCN(c1ccc(C=CC(=O)O)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 1915042106 SQGHULOVDNJYGS-FQEVSTJZSA-N 429.358 4.648 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cccc1F 1952824940 XAZHXXVYGRUOBY-DVECYGJZSA-N 447.462 4.928 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@@]12CCC[C@@H](CN1Cc1ccccc1)C2 2200726879 JLGAIQXJLCXHQB-VGSWGCGISA-N 433.365 4.828 10 10 IJCE CCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1OCC 2332106845 MZNQULACBPSJGK-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C)c1O 2332124340 RXKIAHOVOYGARS-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381128864 AOPKLLJIIBSODN-HYVNUMGLSA-N 439.394 4.588 10 10 IJCE O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1ccccc1F 1185027 DFANYDMHINKHLW-RVDMUPIBSA-N 437.408 4.666 10 10 IJCE COc1ccc(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 20988753 BFUXYJLLQWSFQY-XMMPIXPASA-N 444.510 4.796 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2c(C)cccc2C)c1C 96822613 ZAVWEAZMQWTXCW-DHNIJCFSSA-N 448.563 4.563 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCN(C)[C@@H]3c3cccs3)ccc21 525041392 KNPFIPIAGQXAKG-YKSBVNFPSA-N 439.625 4.779 10 10 IJCE Cc1cccc(O)c1Cn1nc(C2CCC2)c(I)c1C(F)(F)F 2079023629 SUSBTTWGSVPSFJ-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CC[C@H](N[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2095057893 FVZOSMPIWNRJKM-DYVFJYSZSA-N 427.383 4.841 10 10 IJCE CC[C@H](NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1cc(Br)ccc1O 2158895723 SIXZHKUEJASOAF-LBTNJELSSA-N 439.394 4.841 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nscc1Br 2227263025 FTJHFFMUOFDVMW-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CC[C@@H](C)Oc1ccccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 2294208421 AEZMDQRSHKVWCS-CYBMUJFWSA-N 428.941 4.657 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 2297461167 OMOOVDXZQGDSLQ-UHFFFAOYSA-N 443.459 4.859 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 2297559925 VRCIYTFQDVGTKY-UHFFFAOYSA-N 429.563 4.894 10 10 IJCE COCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S 2314648485 ZOZDATFWAJOUDX-UHFFFAOYSA-N 441.622 4.771 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccc(F)cc1 2314831339 IUOSFQBXPYRWFB-UHFFFAOYSA-N 444.553 4.932 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(Br)c1 2321614866 BHDSDWOBYVXZTQ-UHFFFAOYSA-N 427.326 4.825 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c(O)c1Br 2352687773 QVUFRXJTHLZBLY-OFQRWUPVSA-N 427.383 4.587 10 10 IJCE Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)[C@H](C)SC3=S)s2)cc1 11636560 UFPIGGSPTPTACC-HNNXBMFYSA-N 447.651 4.790 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 20706307 QBXDMJRXDFKHST-JIGPKXGUSA-N 441.915 4.841 10 10 IJCE CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 33424662 NICMTDIHQWHDMX-PGMHBOJBSA-N 441.984 4.921 10 10 IJCE Cc1cccc(C)c1N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 39859175 IXAKIPCRIJUILP-PEZBUJJGSA-N 445.363 4.794 10 10 IJCE O=C(NN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)c1csc2c1CCCC2 96834585 YYDIIXBTZSDSOF-KZIJLOKPSA-N 426.588 4.729 10 10 IJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1 102638234 XMWJHYJOTAMWAD-BJRGRWSZSA-N 448.548 4.728 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226633373 RSUIRCPPZHVEQY-IMWIBFENSA-N 434.517 4.725 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526380501 VEHYFFPAVCXOSN-JOCHJYFZSA-N 436.533 4.889 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 1458143650 DWZNUCQXAQLGSJ-UHFFFAOYSA-N 429.389 4.985 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 1860085362 GOPXDERNIHBKTP-FYJGNVAPSA-N 439.606 4.893 10 10 IJCE CCOc1c(/C=C2/C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)cccc1OC 1865670402 YBMWKYWAWTYOAR-HAVVHWLPSA-N 442.515 4.933 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873166643 FBLKOYGNIRAJAJ-UHFFFAOYSA-N 447.604 4.724 10 10 IJCE CCCCOC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1874167313 DRZFMYUMJOGFQB-UHFFFAOYSA-N 434.536 4.990 10 10 IJCE C[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1923143324 WJRUBKREKJUCJT-SMDDNHRTSA-N 433.774 4.543 10 10 IJCE CCCN[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947477605 KGAOSHLSQSBJON-IRLDBZIGSA-N 428.573 4.933 10 10 IJCE Cc1cc(Br)c(C(=O)NCC2(CN=[N+]=[N-])CC2)cc1NC(=O)OC(C)(C)C 2180956283 HVMJMDXQUBXHQX-UHFFFAOYSA-N 438.326 4.925 10 10 IJCE CCN1C(=O)C(=Cc2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)SC1=S 2293792154 ZUGFVBITSLETLG-UHFFFAOYSA-N 439.967 4.850 10 10 IJCE CC(C)N1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 1318828 NUVMFVZMCGYFFL-ISLYRVAYSA-N 428.966 4.867 10 10 IJCE COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)nnc4ccc(C)cc34)CC2)cc1 32953358 DOVJBBLNQORUKR-UHFFFAOYSA-N 438.531 4.576 10 10 IJCE CC[C@]1(CNCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 715711148 DFRCRKXPUKQLDM-HXUWFJFHSA-N 445.373 4.811 10 10 IJCE CC(=O)c1cc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)ccc1C 1289510956 QWOLAQYHJBKPQY-UHFFFAOYSA-N 449.308 4.922 10 10 IJCE COc1cc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1O 1858591854 NOYMILUVIMLXIU-CXUHLZMHSA-N 425.453 4.821 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 1860085229 XAZAOCXWUHJGLJ-DEDYPNTBSA-N 428.579 4.956 10 10 IJCE COC(=O)c1ccc(/C=C/C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 1866009553 AZGUUZRSBYZJAV-SDNWHVSQSA-N 435.501 4.949 10 10 IJCE O=C(N[C@@]1(c2ccc(Cl)cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952760160 GEQDLSCSLZHPNY-PXDATVDWSA-N 449.890 4.884 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929736 QXTOTXGAULVUFS-INIZCTEOSA-N 433.938 4.988 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2355098712 PIWQWYWDLTUGRV-DFQSSKMNSA-N 428.418 4.688 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2357992608 PHOYEDPVYKSRAD-NHQZAOEJSA-N 439.394 4.887 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 206863240 GNMSIVOXRKAMMZ-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)ccc1OCC(=O)O 210457896 MGXKDJHYHJPNPG-UNOMPAQXSA-N 443.546 4.517 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@H]43)C[C@H]2C)cc1 504213777 GLLBRMNOAAYUEN-WCLYAXFTSA-N 438.612 4.664 10 10 IJCE biogenic CN(c1ccc(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)cc1)C1CCCCC1 789408912 LWPIMOJZZZJIPK-UHFFFAOYSA-N 438.572 4.530 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1867944838 WVUITKCYHAQZFJ-QFIPXVFZSA-N 445.401 4.936 10 10 IJCE CC[C@H](NC[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2200855874 DCARNKUFJCRLOR-DAESXHAQSA-N 439.394 4.843 10 10 IJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2296727650 VDOSKXGHMQUGMN-UHFFFAOYSA-N 435.574 4.777 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1C 2297470346 AZFIOYRKWUMZCU-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE CN(C1=NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1)c1ccccc1C(=O)O 2314557131 OICOZLOLXXFOOK-UHFFFAOYSA-N 449.444 4.660 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1OCC 2321733841 HJQYVPFSYMUCGY-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE CNCc1ccc(OCc2ccc(I)c(Br)c2)c(C)c1 2377295242 IPBNQVYAKOKJJG-UHFFFAOYSA-N 446.126 4.661 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(OC)c(Cl)c3)C(=O)N=C2S1 32964113 QLOIVLKUZOVGBB-DODDZMEZSA-N 427.917 4.559 10 10 IJCE COc1ccc([C@H](C)Nc2ccc(Br)c(I)c2)c(O)c1 312501752 ZWSHWXZIAFEAEO-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CN1CCC[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H]1c1cccs1 745849078 QMZVZSZSXDWNEH-MBSDFSHPSA-N 439.581 4.842 10 10 IJCE CC(=O)N1CCN(c2cccc(NCc3ccc(N(C)Cc4cccs4)cc3)c2)CC1 1308693807 FFKDDRPHEDKQCB-UHFFFAOYSA-N 434.609 4.665 10 10 IJCE CC(=O)[C@H]1CC(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)=NN1c1ccccc1 1466397862 AWJJCCNEZUJRLI-UQBPGWFLSA-N 441.531 4.706 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1597090391 XUMLTAJAMJZBHE-JDQHYLEWSA-N 435.442 4.902 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)c(OC)cc1Cl 1860084091 CPWWVCKHYWFVOA-QGMBQPNBSA-N 449.937 4.534 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1OC 1860085373 HHNQIZBJUKUNRS-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 1865667633 HOXOKGPVBHVTSE-STZFKDTASA-N 444.487 4.556 10 10 IJCE Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179435 DSZVKJYTUBVTEU-UHFFFAOYSA-N 441.874 4.768 10 10 IJCE CC(C)c1nc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1C 1891513698 COPILALPWHTWLR-UHFFFAOYSA-N 431.370 4.775 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CC(=O)O)cc1Br 1912024106 LWGXUULREVZOFD-LJQANCHMSA-N 429.358 4.505 10 10 IJCE Cc1ccc([C@H](n2nc(C3CCC3)c(N)c2I)C2(C)CC2)c(O)c1 2079013126 FTSSRUOIANEYDO-KRWDZBQOSA-N 437.325 4.741 10 10 IJCE CC[C@@H](NCC1(CNC(=O)OC(C)(C)C)CCC1)c1cc(Br)ccc1O 2098634159 JRRZHBRLMXXMAP-MRXNPFEDSA-N 427.383 4.890 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C2(CC2)C1 2129396810 OTMMKLIGAADOSH-OAHLLOKOSA-N 445.785 4.687 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255620 PVMOSVNNPYFAEG-PIPMEXSNSA-N 429.402 4.993 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148938792 LAKKAWZMIPWLAX-FBBABVLZSA-N 428.418 4.817 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2NCc2ccc(Br)cc2O)C1 2156252337 VBVPUXRJQHBGTN-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE CCc1cccc(CNc2ccc(Br)cc2I)c1O 2231656501 OZORRVIMSAYXMU-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(-c4ccccc4F)o3)SC2=S)ccc1O 2296885231 KCPQUBGNXBVVAK-UHFFFAOYSA-N 441.461 4.895 10 10 IJCE CCN1N=C(c2ccccc2)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)C1=O 2332127244 BYLKKSPYPQXDMO-UHFFFAOYSA-N 443.341 4.895 10 10 IJCE Cc1ccc(CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(O)c1Br 2380793490 RVRJAEBPQQRYEM-HSZRJFAPSA-N 429.402 4.951 10 10 IJCE O=C(O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S 13186974 ZOKJZOLRSIMUKW-GZTJUZNOSA-N 433.938 4.595 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 15039606 BVLLODSPMCQMKM-UNOMPAQXSA-N 439.537 4.927 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCC(=O)O 16915628 ZCNDZNSKXIGXRD-YBFXNURJSA-N 443.546 4.571 10 10 IJCE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)cc4C)c3)C(=O)N=C2S1 103564473 AVZUCKPMSQGREK-ZQFCNSAKSA-N 448.548 4.790 10 10 IJCE CN(Cc1ccccc1CNCc1cccc(Br)c1O)C(=O)OC(C)(C)C 404577510 SJIRHXLAOWNMOV-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1ccc(Br)cc1O 691392122 ODKFEPMMRHHEFQ-JLTOFOAXSA-N 427.383 4.718 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 781635350 HKGBGWSCYRNKCG-AOMKIAJQSA-N 434.374 4.878 10 10 IJCE CCCCN1CCc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc21 784108220 GIFRCAVDPKJONS-UHFFFAOYSA-N 434.584 4.593 10 10 IJCE CC(=O)c1cccc(NC(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c1 1167681342 XYKYRANENVGFKD-TWGQIWQCSA-N 442.515 4.819 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c1O 1192304063 QTFNLHHMRBJUEG-UHFFFAOYSA-N 445.007 4.995 10 10 IJCE COc1ccc(N2CCN(C)CC2)cc1NC(=O)CC(c1ccccc1)c1ccccc1 1858035259 MDSNTEDOHZLWMV-UHFFFAOYSA-N 429.564 4.608 10 10 IJCE CC[C@H](C)N1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162352 RBAZQTXXUQFIMZ-IBGZPJMESA-N 441.575 4.805 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CC1(C)C 1878903727 YGHSDPIFDOVDKP-LBPRGKRZSA-N 447.801 4.933 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1ccsc1Br 1881499238 HQMAFIAGDDHQTO-INIZCTEOSA-N 440.407 4.672 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2078983853 KGOMCNAUAUZWFC-QGZVFWFLSA-N 440.325 4.507 10 10 IJCE Cc1cccc(O)c1Cn1nc(C2(C)CC2)c(C(F)(F)F)c1I 2079715426 FEWBAFMYTXTGEC-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE C[C@@H](NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)c1ccccc1O 2192610772 FWZZSANLFVPYGH-GFCCVEGCSA-N 435.318 4.993 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nc2ccccc2s1 2296881731 XZZBBBRFVYRPOA-UHFFFAOYSA-N 445.616 4.978 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(=O)O)cc1 2313510663 BGCGCNAMIQFIRT-UHFFFAOYSA-N 432.259 4.569 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1C 2313571096 NFTZJDDRTYHKIE-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141414 UMTCYZLSLHASDJ-UHFFFAOYSA-N 435.480 4.565 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638848 PGLHIPQGTYVVLQ-WFXMLNOXSA-N 447.398 4.962 10 10 IJCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 14475727 FIWYGBZAJQNJPI-JCGVRSQUSA-N 434.233 4.732 10 10 IJCE O=C(O)CCOc1ccc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1 16908067 FBNYPNNRSSJGPU-XNTDXEJSSA-N 437.304 4.929 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2ccccc2)cc1 33247665 MEVABVAPVJZIJB-LBKCIFGTSA-N 432.545 4.562 10 10 IJCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 206294013 HNMMBGNPFJUJPY-XMHGGMMESA-N 426.563 4.720 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 226692899 BIAXQGBMKLSUSC-XFQAVAEZSA-N 445.346 4.998 10 10 IJCE Cc1occc1C(=O)NC1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 727436438 ADPOZLNKZWNLIH-UHFFFAOYSA-N 445.523 4.836 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3OC)C2=O)cc1OCC 1858589412 ZUVSRNQYKHBWLZ-DEDYPNTBSA-N 429.563 4.894 10 10 IJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1 1860087030 WGTAMTCPGUJUBY-XNTDXEJSSA-N 434.336 4.642 10 10 IJCE Cc1cccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c1O 2079698507 QGGLOXOJTMUWKW-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3cc(Br)ccc3O)[C@H]1CC2 2097863787 OWWVCAIXCBWECV-GVDBMIGSSA-N 425.367 4.565 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148938795 LAKKAWZMIPWLAX-QFUCXCTJSA-N 428.418 4.817 10 10 IJCE CC1(C)CC[C@H](NCc2cccc(Br)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155359100 XHSVXGNPKHAVGE-RDJZCZTQSA-N 441.410 4.964 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2234717643 IOZRJUQJRPOAOX-OYRHEFFESA-N 428.418 4.802 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314539059 KBDNDDBSAYIZSQ-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C(C)=O)cc2)c2ccccn2)cc1 54120909 AFAKOQSUPLKGHC-RUZDIDTESA-N 447.579 4.577 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C(=O)O)c1 59249743 UCJJAMMJIYQLGF-HMAPJEAMSA-N 442.471 4.779 10 10 IJCE C[C@H](N)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705967972 PGTWHLZGSVPIRI-JJEOQYAHSA-N 428.418 4.817 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OCC 1860084649 YXXNFYPRUCQNHO-XDHOZWIPSA-N 443.546 4.978 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccccc2F)N=C1c1ccccc1 1865678266 BUIIWVDOTJIGBV-MOSHPQCFSA-N 446.478 4.682 10 10 IJCE Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866077851 PPHFGBFSRHYUSR-UHFFFAOYSA-N 442.858 4.518 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNCc2cc(Cl)cc(Br)c2O)CC1 2101520077 BUVGDOKQEIXXQC-NNUKFRKNSA-N 447.801 4.981 10 10 IJCE CCOC(=O)COc1ccccc1C=C1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 2293201988 FMBKMEJOXGNGJX-UHFFFAOYSA-N 447.516 4.558 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1C 2296147139 GACJHUPBKZNYDA-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2296882500 WZEXLTMWZDTZGG-MRXNPFEDSA-N 447.965 4.983 10 10 IJCE COc1ccc(CN2C(=O)C(=Cc3cc(OC)c(OC)cc3Cl)SC2=S)cc1 2297349581 MWNOAJZOHJDJHK-UHFFFAOYSA-N 435.954 4.767 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccncc1 2323763174 VHJUFIPIMREURL-UHFFFAOYSA-N 441.759 4.605 10 10 IJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323829750 OLSOODGINBZQJH-MGPUTAFESA-N 441.574 4.966 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380812615 XLAHYYWSIIAOGJ-HRAATJIYSA-N 439.394 4.732 10 10 IJCE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C(=N)N12 32974137 MWLUXFZYEZGSMH-MKGVMWAWSA-N 428.564 4.902 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 33411158 IBCCWAKXESZMEJ-XDHOZWIPSA-N 431.404 4.668 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C2=O)c1 83327796 RWAZGHVBGBKHKT-HAVVHWLPSA-N 442.471 4.960 10 10 IJCE Cc1cc(/C=C\C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccccc1 96925275 XNXNXRDQPGTAEP-SEYXRHQNSA-N 433.596 4.749 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 208353317 QCOQKJNPJUIFEK-UNOMPAQXSA-N 449.444 4.724 10 10 IJCE Brc1cc(CNCc2ccc(OCC3CC3)nc2)ccc1N1CCCCC1 1308239573 UZOZJVLQPGMUNY-UHFFFAOYSA-N 430.390 4.913 10 10 IJCE Cc1cc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 1642828179 COXLBLVNBGBPGX-LJQANCHMSA-N 425.916 4.598 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)CC1 1858591456 NMSGZTCHOYDSRK-GXDHUFHOSA-N 445.393 4.816 10 10 IJCE Cc1cc2onc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2cc1Cl 1859616397 FNFPDTFPIHKRHS-UHFFFAOYSA-N 430.847 4.746 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 1965962784 YKZJVGNEIQKLOX-HNNXBMFYSA-N 447.801 4.933 10 10 IJCE CCN[C@@H](C)c1ccc(N(CCOCCOC)Cc2ccccc2)cc1Br 2152214961 MPSSMEGQVLGFEY-SFHVURJKSA-N 435.406 4.789 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188880627 WAQRAMVRDWSDQQ-OFNKIYASSA-N 428.418 4.658 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 33532975 KOIQIEYNZVEFKP-YVLHZVERSA-N 432.343 4.621 10 10 IJCE CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 102447453 VBDAIVCWNIVGDW-FFQHCQMLSA-N 448.548 4.736 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226736122 VHSMKPIQVKBGQU-VWKPWSFCSA-N 447.944 4.761 10 10 IJCE CC[C@]1(CNCc2cc(Br)cc(F)c2O)CCCCN1C(=O)OC(C)(C)C 715712984 NBIAWDSPXHKYSQ-HXUWFJFHSA-N 445.373 4.953 10 10 IJCE CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(Br)ccc1O 723810614 WWSKUHPBPCAQLT-ZQIUZPCESA-N 427.383 4.698 10 10 IJCE O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731955599 OHBFGCBZPYHEEF-GOSISDBHSA-N 433.424 4.847 10 10 IJCE O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 741284583 MNWKIKBLFHCHOD-NZSAHSFTSA-N 435.442 4.602 10 10 IJCE Cn1ccc([C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccc(F)cc2)n1 775627652 OHFWGLAJFDNUAX-QFIPXVFZSA-N 430.474 4.509 10 10 IJCE COc1ccc(N2CCN(C[C@H]3C(=O)O[C@H]4C[C@]5(C)CCC[C@@H](C)C5=C[C@H]43)C[C@@H]2C)cc1 1565538741 KROIZQLPVOFDSY-OSDJQYAZSA-N 438.612 4.520 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCCC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867962692 OLDNGEHMABIGAB-UHFFFAOYSA-N 443.595 4.778 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Br)c(F)cc1F 1891736557 MZPKNDORCBZUKZ-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163333845 JVHCRLCWLHKIQU-FDDCHVKYSA-N 428.418 4.832 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccc(OC)cc3)C2=O)cc1 2313501987 RPCFPBUTEXDQFM-UHFFFAOYSA-N 427.595 4.812 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1ccccc1 2314837833 XFLNSEBGXQYORS-UHFFFAOYSA-N 430.620 4.826 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352946622 LXVPQAQYOJMMOI-HZPDHXFCSA-N 427.383 4.779 10 10 IJCE Cc1ccc(CN[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccco2)c(O)c1Br 2381131401 NANDABVVOKWDBN-DYVFJYSZSA-N 439.350 4.800 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 33417049 OJZBUACOFMVPBE-JMIUGGIZSA-N 448.410 4.648 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 35623368 KWWXZVGTEZVDFU-ABYSCFCFSA-N 442.478 4.678 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(S)cc1O 687755870 OWXMGFKDIJTGCZ-OAQYLSRUSA-N 435.501 4.735 10 10 IJCE CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc21 734392690 QNIDZZGFYKHHEV-UHFFFAOYSA-N 432.446 4.725 10 10 IJCE COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3c(C)cc(C)cc3O)c2)cc1 788603058 DRFAETRNYIYQEH-GOSISDBHSA-N 440.565 4.669 10 10 IJCE O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 1084250897 KRQOYUAEEVECHN-LDADJPATSA-N 448.822 4.991 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)c1O 1657881194 UHBNFRMQOVEQOL-UHFFFAOYSA-N 438.465 4.849 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccco1 1858586510 ADPJDLBCZNQPMD-LFYBBSHMSA-N 430.732 4.803 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079988087 ZRPGFGPQWXDAFC-QGZVFWFLSA-N 425.323 4.515 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 2105945044 PQUYZIHTGBSMKA-ZDUSSCGKSA-N 447.801 4.933 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148939117 OIXADVREVDFAHX-RLLQIKCJSA-N 428.418 4.817 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2168788381 JAEKXULENPTEND-DUXKGJEZSA-N 428.418 4.688 10 10 IJCE Oc1ccc(Br)cc1CNc1cc(Br)cnc1Br 2221584931 YFMOEBVXMGDNEP-UHFFFAOYSA-N 436.929 4.687 10 10 IJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl 2297347738 YCQIXJYZFNYVIZ-UHFFFAOYSA-N 437.883 4.768 10 10 IJCE O=C(O)c1ccc(CN2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1 2323844515 ZIJXGTGFHAGTOA-UHFFFAOYSA-N 434.336 4.549 10 10 IJCE CCOc1ccc(N(C)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 9409379 YUCTZZPLEIUEDM-QHCPKHFHSA-N 444.984 4.895 10 10 IJCE COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1c(O)ccc3ccccc13)CC2 12167438 IFEFZCZFRIBHJT-XMMPIXPASA-N 444.575 4.515 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C)c2C)c2ccccn2)cc1 54120852 ZWVZSOBXUVVJKL-RUZDIDTESA-N 433.596 4.991 10 10 IJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)c1 103719340 WRKWWSRRNWASRE-CYPXAJCBSA-N 439.924 4.883 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)N1CCCCC1 211948421 RVUFZJGHELPONE-HMMYKYKNSA-N 444.622 4.612 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CCNCc1ccc(Br)cc1O)c1ccccc1 691397135 WUWAQWVQZFSOHV-SFHVURJKSA-N 435.362 4.900 10 10 IJCE CC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 783123821 TXPNPHGGTXHNGY-OKILXGFUSA-N 433.911 4.617 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CNCc2cc(Cl)cc(Br)c2O)CC1 1474300049 AVKBCDXTTZAYPO-ZDUSSCGKSA-N 447.801 4.935 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(Cl)cc4)n4ccccc34)CC2)cc1 1858344252 KPQXNARZYBVEFW-UHFFFAOYSA-N 446.938 4.626 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2NCc2cc(Br)cc(F)c2O)C1 1918970410 ITDDDZPNDUJZMN-OXJNMPFZSA-N 443.357 4.563 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)c1c(O)cccc1OC 1976858484 OGJMTOZKDXVCTF-XMMPIXPASA-N 447.487 4.798 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(Br)c1 2151097807 IPBYIIBGOFPYLH-GAJHUEQPSA-N 429.402 4.993 10 10 IJCE COc1ccc(Br)c(CNCc2ccccc2NC(=O)OC(C)(C)C)c1O 2236049484 RHRHUJNPGZALNL-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CCN1C(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 2313533081 VLUBQNZFLBXVQG-UHFFFAOYSA-N 431.451 4.516 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](CC)C(=O)O)cc3)SC2=S)cc1 2314929925 UTOLUMLOQVYQLK-SFHVURJKSA-N 427.547 4.897 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100103 KRNZPZMVRVPDKD-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE Cc1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)ccc3O)C2=O)cc1 2332124671 CEIFZJJSWACUEY-UHFFFAOYSA-N 425.204 4.812 10 10 IJCE COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)c1 100712906 KMCTWWGKPPMAFH-FPDKYURTSA-N 428.492 4.575 10 10 IJCE CCC[C@]1(CNCc2cc(Br)ccc2O)CCCN1C(=O)OC(C)(C)C 311397853 GDISSZVTOZNZGN-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE CCNCc1ccc(N(C)CC2CCN(Cc3ccccc3)CC2)cc1Br 719960711 GLOLGMUSELMJMS-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CC(=O)N(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 1312590423 LBYWABBRGXCLMB-KRWDZBQOSA-N 442.991 4.558 10 10 IJCE Oc1c(F)cc(Br)cc1CNC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1461538024 HNMNYXWAGPJYGN-IHWFROFDSA-N 433.365 4.969 10 10 IJCE CC[C@H](C)N(C(=O)COc1cccc(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910051 AOMJEKNIVPAXAW-KRWDZBQOSA-N 443.499 4.681 10 10 IJCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865673216 WAVADAVNTRRDHT-WUXMJOGZSA-N 430.140 4.565 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(F)cc4F)cc3)CC2)cc1 1872884062 JDNZEAJKPFHMFM-UHFFFAOYSA-N 437.490 4.548 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873168088 IRHXHNGGVXKNAD-MRXNPFEDSA-N 433.577 4.824 10 10 IJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873169656 FFODAPGSGLJFAN-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE CC[C@@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Br)ccc1O 2036184845 MOVUYLXUGMGTEH-HXUWFJFHSA-N 447.373 4.997 10 10 IJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079873138 KTGYQYJULLIIEL-OAHLLOKOSA-N 447.276 4.720 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(CNCc2cc(Cl)cc(Br)c2O)ccn1 2231853532 AWDUSKRBNHVDCS-UHFFFAOYSA-N 442.741 4.840 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 2313681405 DFBNYEAWEWXELA-UHFFFAOYSA-N 434.565 4.914 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314831364 JKJAUTKGQMRULS-UHFFFAOYSA-N 446.981 4.974 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314831658 PLIXSAOAXPXSAS-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OC 2332125774 OPVYKHRBUABSQA-UHFFFAOYSA-N 447.304 4.797 10 10 IJCE CCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 33436629 UUOBATJTLOWNCR-WJDWOHSUSA-N 429.816 4.544 10 10 IJCE CN(C)c1ccc(Cn2nccc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 98080303 NRCHBNHAZBMBHE-UHFFFAOYSA-N 434.471 4.561 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)sc2c1 208739310 IHEMIVFINLXYPJ-XNTDXEJSSA-N 445.616 4.896 10 10 IJCE CN(CCCOCc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 383890514 CSSXUMGCGJUDMY-UHFFFAOYSA-N 425.573 4.605 10 10 IJCE C[C@H](Nc1cc(I)ccc1Br)c1c(O)cccc1O 388625758 JOUBZAWLLABNRC-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc(Br)cc2O)c(F)c1 691398503 BRSCLQMSCXLKMS-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE COc1cc(N2CCN(C(=O)C/C=C\c3ccc(C(C)C)cc3)CC2)cc(OC)c1OC 759222656 VBQYTMBPEVYHIJ-SREVYHEPSA-N 438.568 4.588 10 10 IJCE COc1ccc(O)c(CN(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1 770687812 FBCJVFBEGHEEBR-QHCPKHFHSA-N 429.463 4.738 10 10 IJCE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)[C@H]2C 800719214 IBPPXKDQPKKMQE-IRXDYDNUSA-N 445.011 4.578 10 10 IJCE CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1C 1519494710 XLZNBLZJMUMFTK-XDHOZWIPSA-N 442.537 4.567 10 10 IJCE CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859892075 XUBIUFJDNGJPMO-DHZHZOJOSA-N 446.484 4.887 10 10 IJCE Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287066 GIAWNWYQJLOTMV-UDWIEESQSA-N 440.590 4.870 10 10 IJCE COc1ccc(N2CCN(c3nc(Nc4ccc(C(C)C)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871302438 NFJQIGRCCMLMEW-UHFFFAOYSA-N 448.527 4.587 10 10 IJCE Cc1cc(C(=O)COC(=O)C=Cc2cc3ccccc3nc2O)c(C)n1-c1cccc(F)c1 2040843786 FNDWTCZIGSQONO-UHFFFAOYSA-N 444.462 4.926 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2079013834 REPMBFPNZHFYOB-SFHVURJKSA-N 440.325 4.507 10 10 IJCE CC[C@@H](Nc1cnc(CNC(=O)OC(C)(C)C)nc1)c1cc(Br)ccc1O 2199640005 VSAIWAHDRZHQCR-OAHLLOKOSA-N 437.338 4.533 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2234719104 IOZRJUQJRPOAOX-OYRHEFFESA-N 428.418 4.802 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280273142 PECDWAIZULAPIM-LLVKDONJSA-N 446.126 4.743 10 10 IJCE C[C@](Sc1nccs1)(C(=O)O)c1cc(Br)c(Br)s1 2327015680 UCEKPODBJBUTMG-SNVBAGLBSA-N 429.180 4.822 10 10 IJCE Cc1nc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)sc1CC(N)=O 254876968 KRPDKUHZNSAUIM-UHFFFAOYSA-N 425.539 4.626 10 10 IJCE C[C@H](Nc1cc(Br)ccc1I)c1cc(O)ccc1O 311652818 UJUMGBBXZYGPSA-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1Cl 326248014 ZIIJMNBGTZYZJO-UHFFFAOYSA-N 431.080 4.505 10 10 IJCE O=C1C(O)=C(c2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(N2CCCC2)cc1 526372037 IIXUIBLKQHNVER-DEOSSOPVSA-N 446.478 4.894 10 10 IJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@](C)(c3noc(C4CCOCC4)n3)C2)cc1 675025150 VRVOUFFFZAVINS-SANMLTNESA-N 448.567 4.565 10 10 IJCE CC1(C)CC[C@H](CNCc2c(O)cccc2Br)N(C(=O)OC(C)(C)C)C1 686993184 ZFCGQYVGZDFHLF-CQSZACIVSA-N 427.383 4.670 10 10 IJCE Cc1ccc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C\c3ccc(C)nc3)c(F)c2)cn1 754317575 KWLVDHYOHDSLJU-JMVBYTIWSA-N 430.483 4.561 10 10 IJCE Cc1ccn(-c2ccccc2CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 768737924 YSSHUYNNPQYMBS-UHFFFAOYSA-N 438.491 4.851 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664181 DUBKQTGEUMBNGY-HYARGMPZSA-N 428.488 4.548 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2NCc2ccc(Br)cc2O)C1 2156252335 VBVPUXRJQHBGTN-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE CC(C)(C)OC(=O)NCC1(F)CCC(CNCc2cc(Br)ccc2O)CC1 2178642219 SKDNYGHLVLTVFP-UHFFFAOYSA-N 445.373 4.668 10 10 IJCE COc1ccc(C=C2SC(=S)NC2=O)cc1COc1cccc(C(F)(F)F)c1 2297456991 ZIPUVXIYNNYBKS-UHFFFAOYSA-N 425.453 4.782 10 10 IJCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c(Br)c1 2357090726 BFRSKLJNUGQBMV-SRYPRDQNSA-N 429.402 4.989 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639568 RSUIRCPPZHVEQY-XLNZFTOWSA-N 434.517 4.725 10 10 IJCE CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)CC2)c(F)c1 31508261 MMPUYHGIFNNINZ-UHFFFAOYSA-N 433.527 4.707 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1OCc1ccccc1 33420624 OAIOEOFXQOIUIS-QGOAFFKASA-N 446.434 4.920 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)o1 96475763 FVXAOYQIUZWROH-FIMHLPJISA-N 437.481 4.828 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O 1646091404 UIZZTWZTBBTXGC-UWJYYQICSA-N 434.552 4.736 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1cccnc1 1860087303 OAIIFFXQFMJPIY-LFYBBSHMSA-N 427.732 4.609 10 10 IJCE COC(=O)c1c(NC(=O)CCCC(=O)N2CCCCC2)sc(C)c1-c1ccccc1 1866185504 HNEWKTYGUUDENC-UHFFFAOYSA-N 428.554 4.631 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2cc(Cl)cc(Br)c2O)CCC1 2037356175 LQDURNYHINLZRA-UHFFFAOYSA-N 433.774 4.593 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(N)c2I)c(O)c1 2078983812 JSIAIYFVAYGHIE-QGZVFWFLSA-N 425.314 4.597 10 10 IJCE CC[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccccc1O 2084720843 CCBJNSYRQKPNTM-JTHBVZDNSA-N 439.600 4.554 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1 2293374361 XGKHBWORTZGIBP-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 2294130934 OXSCLINYQUQDIN-UHFFFAOYSA-N 445.431 4.645 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(Br)s3)SC2=S)c1 2313610557 ZJUCJLMBRVYJFX-UHFFFAOYSA-N 442.381 4.934 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323831752 AFEGUIOMFKTLJC-UHFFFAOYSA-N 445.423 4.911 10 10 IJCE CC(C)(C)OC(=O)NCCCc1ccnc(NCc2cc(Br)ccc2O)c1 2370300424 VJBKAVZTTOJQDP-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@H]2CCN3Cc2ccccc2)c(O)c1Br 2380792779 LZRZOSPRYXLDCK-REWPJTCUSA-N 429.402 4.998 10 10 IJCE CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381134331 ARCBVZQRAPLMLT-FQEVSTJZSA-N 443.382 4.505 10 10 IJCE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 35152608 KTVFURJHNVKIGS-YBFXNURJSA-N 438.530 4.909 10 10 IJCE N[C@@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1O 504220842 FGYVHGZCTLVZME-ZDUSSCGKSA-N 449.968 4.922 10 10 IJCE C[C@@H]1CN(c2ccc(CN[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2F)C[C@@H](C)O1 779440253 ZZHPKKZVRMMOGQ-YFUZDLCXSA-N 437.603 4.725 10 10 IJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)COCC 1705480502 VUUPESLNTBDANW-LJQANCHMSA-N 433.600 4.873 10 10 IJCE CCc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1865778956 ZNIRUDITLXDNNM-UHFFFAOYSA-N 435.955 4.935 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 1912306042 DWXXQYDYJQDETN-LBRJOISOSA-N 425.367 4.593 10 10 IJCE CCN(c1ccc(CNC2CC2)cc1Br)[C@@H]1CCN(Cc2ccccc2)C1 1915017467 FEUKMASJKOVWRN-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2Br)cc1C 2080003931 TVGFUBWIYOUPMQ-QGZVFWFLSA-N 432.362 4.508 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CC1 2297357993 KIBHAMIZIAJHAZ-UHFFFAOYSA-N 434.348 4.578 10 10 IJCE O=C1C(=Cc2ccccc2I)SC(=S)N1C1CCCCC1 2297366182 KOTDLKCZDLCHND-UHFFFAOYSA-N 429.348 4.825 10 10 IJCE CC(C)n1ncc2cc(C=C3CCn4c3nc3ccc(Cl)cc3c4=O)c(Cl)nc21 2297435380 BMUKDSYEDYQXOM-UHFFFAOYSA-N 426.307 4.973 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N([C@@H](C(=O)OC)c2ccccc2)C1=O 2314767268 FRHUJJXZSMSVJQ-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2321706243 BYZUKTBSRGLRLH-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE Cc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 15035765 UWSOIWLGZZUUJJ-SXGWCWSVSA-N 436.480 4.854 10 10 IJCE O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21635789 KTUJKTWXBJPPSN-UHFFFAOYSA-N 442.418 4.607 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 102465743 QDIHUJMHXJHFNV-ONNBZHDSSA-N 436.493 4.844 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3ccc(OC)cc3OC)C2=O)cc1 205952433 VPGTZQFUCQSCGI-JJIBRWJFSA-N 443.503 4.849 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C)SC1=S 206863192 KUJGTJNULFKNRI-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CN(C)c1ccc([C@@H](CN)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1 698260046 NQNUWORZESSAQW-LJQANCHMSA-N 434.378 4.957 10 10 IJCE Cc1c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 801796953 VDQHIDPZPSWVCP-CQSZACIVSA-N 446.477 4.602 10 10 IJCE CC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1081156870 OIAKNSWGPVKQFA-SDNWHVSQSA-N 430.517 4.602 10 10 IJCE CCc1ccccc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860749049 UEQAMTVIMDPBME-UHFFFAOYSA-N 436.533 4.958 10 10 IJCE CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666261 GXWAITKIJSLLRD-RQZCQDPDSA-N 443.341 4.972 10 10 IJCE COC(=O)c1c(NC(=O)CCC(=O)N2CCCCC2)sc(C)c1-c1ccc(C)c(C)c1 1866187942 RODJKNKLUGOJBO-UHFFFAOYSA-N 442.581 4.858 10 10 IJCE CC(C)c1cccc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866419958 IDNURESKQZBRNE-UHFFFAOYSA-N 436.467 4.679 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262751 WTKDBSUPOAEKSZ-NQSCKRDGSA-N 428.418 4.960 10 10 IJCE CCc1ccc(NCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2297321971 MOFUQWUEAAXKEU-UHFFFAOYSA-N 444.578 4.546 10 10 IJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)ccc1Br 2313548055 KDWOGEDDCHXVTR-UHFFFAOYSA-N 427.298 4.547 10 10 IJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 2314932728 OZXGLHJGYYCUKA-UHFFFAOYSA-N 437.901 4.738 10 10 IJCE CN1CCN(c2cc(Nc3cccc(F)c3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741837 YAEYPXUPMPCCCS-UHFFFAOYSA-N 428.467 4.674 10 10 IJCE CCOC(=O)C[C@@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1 20943414 PQPOMNQNEUVMAB-XMMPIXPASA-N 433.552 4.896 10 10 IJCE CCCCCC1(C)OC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)O1 59643784 KRXORARUZPWPLT-UHFFFAOYSA-N 438.476 4.744 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2ccc(Br)cc2O)CC1 1561048540 XTXHCFPLLZUHSN-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Cl)cc1 1865927558 VNBYAKDTRDEDLQ-HNNXBMFYSA-N 448.972 4.749 10 10 IJCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3cccs3)c(Br)cc21 1915389938 KTAIREPFSXCQBI-FQEVSTJZSA-N 442.382 4.930 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(Br)c2O)CC12CCCC2 2098975402 IKJODIFFUWRAFW-OAHLLOKOSA-N 425.367 4.567 10 10 IJCE O=C1NC(=S)SC1=Cc1ccccc1OCCOc1cccc(C(F)(F)F)c1 2297357963 FEFLKCMQFZPQEC-UHFFFAOYSA-N 425.453 4.652 10 10 IJCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)c1 2313560479 VCCHUGNMDUROQP-UHFFFAOYSA-N 448.500 4.804 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140586 TTYGXZVGNMYCQK-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc1 14461814 GEENEKORTDYGQL-SGIRGMQISA-N 431.580 4.832 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 35623369 KWWXZVGTEZVDFU-CVRKYSSXSA-N 442.478 4.678 10 10 IJCE COC(=O)C(C)(C)[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 767144833 FHDJGTQANYKVSW-JOCHJYFZSA-N 436.508 4.638 10 10 IJCE CCOC(=O)C(C)(C)C(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814771650 BJFSXXFWVGNXDP-OQLLNIDSSA-N 433.576 4.763 10 10 IJCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 1537578619 LXFZGGCTWCTKMD-SANMLTNESA-N 435.612 4.666 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(Cl)s2)cc1 1857992579 UFRLCBSVYZTJOR-UHFFFAOYSA-N 431.970 4.903 10 10 IJCE CC[C@@H](C)N(C(=O)COc1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910981 QCQHAPVFMGTPDX-GOSISDBHSA-N 427.500 4.981 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OC 1865671187 OPVYKHRBUABSQA-CXUHLZMHSA-N 447.304 4.797 10 10 IJCE CCOC(=O)c1c(NC(=O)CC[C@@H]2CCC(=O)N2)sc(C)c1-c1ccc(Cl)cc1 1866204327 WCIVIEKAWRGLKU-HNNXBMFYSA-N 434.945 4.551 10 10 IJCE COc1ccc(O)c([C@@H](C)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1960169845 DLSVPYSJNLKTCX-QGZVFWFLSA-N 432.520 4.590 10 10 IJCE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNCc1cc(Cl)cc(Br)c1O 1964062801 HBFGZSNXPYXDKC-CQSZACIVSA-N 433.774 4.543 10 10 IJCE Cc1cc(C=CC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 2040500684 LGSNOLPWJZCZNC-QHCPKHFHSA-N 443.595 4.831 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2234716295 UMGVYHAPKAYDHC-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(C(N)=S)[C@H]3c2ccc(N(C)C)cc2)cc1 2296887389 MVHSLZMRKZFDTM-VWNXMTODSA-N 433.625 4.659 10 10 IJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(C)cc1 2297347473 UXFLFAQXMIDUBH-UHFFFAOYSA-N 449.532 4.625 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 2323886585 IQCXLZPLJNZCJF-INIZCTEOSA-N 445.591 4.695 10 10 IJCE CC[C@@H](NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355434014 BETZHWFSXCWYFV-AETAKHFUSA-N 439.394 4.983 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H]3CC[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2380808299 JVXPHOUHDFHJJI-DIECFANBSA-N 439.394 4.635 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462271 IPWSYKBOFQDXEL-FXSPECFOSA-N 431.580 4.832 10 10 IJCE COC(=O)c1ccccc1N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 39861660 WDGGHRRXWVTRPA-GDNBJRDFSA-N 434.336 4.642 10 10 IJCE CN(c1ccc(CNC2CC2)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 388402538 MUFCCJOXLRJOEM-JOCHJYFZSA-N 428.418 4.802 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 704730068 ZRLVFINYEPGADH-HSZRJFAPSA-N 430.434 4.905 10 10 IJCE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Br 706821892 SLMHOXYSCZSLHZ-XOBRGWDASA-N 427.383 4.718 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(Br)c1O 1178992024 JLVMHDPQXPSWEG-HUUCEWRRSA-N 433.774 4.734 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1184937908 RLDVRWWZLWBWGV-CHWSQXEVSA-N 425.426 4.668 10 10 IJCE C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1355506195 FNGVYHGAXVBENL-BENRWUELSA-N 436.261 4.860 10 10 IJCE Cc1cnc(O)n1-c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1467502000 IDSPRWSMKHAFQK-MRXNPFEDSA-N 438.959 4.706 10 10 IJCE CC(=O)c1ccsc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1588298819 MDSPOFCLAKMOJP-UVTDQMKNSA-N 436.605 4.632 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 1858590104 XHFLKXSPBFKECH-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)c1O 1865658149 AYLQQPCVJNJZSJ-RGEXLXHISA-N 449.304 4.998 10 10 IJCE COc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1OC 1865677296 CCCLFUVRRHBSLQ-WQLSENKSSA-N 442.796 4.840 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2NCc2cc(Br)ccc2O)C1 2156249941 DKOYUEVKPNDSEF-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 2294061347 WGIJCPSHFMNFLV-UHFFFAOYSA-N 425.488 4.819 10 10 IJCE CCOc1cc(C=C2C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC 2297309366 YEFVDCLKNNAPJL-UHFFFAOYSA-N 435.307 4.561 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314831799 SENXBMANENIXNV-UHFFFAOYSA-N 441.534 4.523 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNCc1cc(Cl)cc(Br)c1O 2330511966 JACZNXYZMWAHMK-XFJVYGCCSA-N 445.785 4.686 10 10 IJCE CCCN1N=C(c2ccccc2)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 2332134062 GBTWTJSLFDURCE-UHFFFAOYSA-N 440.499 4.954 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 15046132 BTWDEZZESCTQIL-UEMWTREESA-N 432.954 4.577 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3ccc(C)c(C)c3)=NC2=O)ccc1OCCC(=O)O 16920039 MJQUFSYMKSZKCB-DEDYPNTBSA-N 440.521 4.638 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356429 ATWVDUBBLLULSU-YYGVEZLMSA-N 439.928 4.663 10 10 IJCE COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 33696646 CWVWTVDMWSJLBY-FYJGNVAPSA-N 448.906 4.697 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 103748369 HBCQXBPBBFPORC-HZHRSRAPSA-N 425.444 4.826 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 526372302 PIWVODOAEJVKJG-DEOSSOPVSA-N 447.487 4.951 10 10 IJCE CC(C)(C)OC(=O)NCCc1ccc(CNCc2c(O)cccc2Br)cc1 706843185 NCEYSWNXHVCXMD-UHFFFAOYSA-N 435.362 4.512 10 10 IJCE CCCCCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 748474550 CQIWUAPHVQUQNI-UHFFFAOYSA-N 449.555 4.728 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C 1219965992 GMNQBDKDQZAXCV-UHFFFAOYSA-N 449.473 4.683 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1705478359 AFTYCGUDGUUUNF-JTJYXVOQSA-N 443.595 4.792 10 10 IJCE CCOc1cccc(CNCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1O 1860718204 DJJRQIDLXAPMBC-UHFFFAOYSA-N 426.900 4.965 10 10 IJCE CCc1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866102321 LXIVLDWMICLTAG-UHFFFAOYSA-N 446.326 4.569 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2cc([N+](=O)[O-])ccc2s1 1874179441 DZMLBAMGQLZTAW-UHFFFAOYSA-N 428.425 4.837 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)c1ccc(N2CCCC2)cc1 2044731533 WGQUWEIBNQFAPJ-UPVQGACJSA-N 440.584 4.820 10 10 IJCE CCN1CCc2cc([C@H](N)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044755046 SQXFWJXYNMZXSI-DHIUTWEWSA-N 439.600 4.569 10 10 IJCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N(c3ccccc3)C2=O)cc1Cl 2293986968 GQHPXRGKEGBAKT-UHFFFAOYSA-N 438.288 4.786 10 10 IJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 2296398078 RREWDCOLVYVIBW-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)c1OC 2321718170 PXKUNJJYBDLZGE-UHFFFAOYSA-N 443.546 4.675 10 10 IJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(O)=NC2=S)c1 59109236 XONRTGBEBPRVQH-AYBCGVOZSA-N 437.565 4.572 10 10 IJCE Cc1cc(/C=C/C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccccc1 109795386 UUXNFSHPTGBIOJ-OUKQBFOZSA-N 442.607 4.668 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526149736 ALVZCDGVAPFRNB-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1 526479995 RZLOXMTVTDOMGU-OAQYLSRUSA-N 434.517 4.658 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCNCc2cc(Cl)cc(Br)c2O)CC1 708188851 BDANBMAIXCDIKD-UHFFFAOYSA-N 447.801 4.935 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nccn1Cc1ccccc1 731036949 UUGXEYBQMBFLIE-UHFFFAOYSA-N 432.568 4.909 10 10 IJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)oc2cc(Cl)ccc12 1859707700 ZVOUSRLVNWXUAV-UHFFFAOYSA-N 443.842 4.783 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087730 QIXLSRKBXVUNKU-RIYZIHGNSA-N 426.397 4.899 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NC4CCCCCCC4)cc3)CC2)cc1 1872884488 VAKZEFSPYWLZHQ-UHFFFAOYSA-N 435.612 4.860 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CC(=O)O)cc1Br 1912024105 LWGXUULREVZOFD-IBGZPJMESA-N 429.358 4.505 10 10 IJCE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1937210507 ULVZYEGYRLDAFQ-KRWDZBQOSA-N 448.519 4.609 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158897243 SIXZHKUEJASOAF-MMNPAVHPSA-N 439.394 4.841 10 10 IJCE C[C@H](O)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163341764 KIAMOTVVKIRQDM-SFHVURJKSA-N 429.402 4.995 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 2296807609 CVFRXVUUPONSOU-UHFFFAOYSA-N 428.482 4.607 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc2c1C(=O)[C@H]1C=CC=C[C@@H]1C2=O 2297511149 BCIIGVGKEFMADL-ROUUACIJSA-N 443.890 4.796 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1Cl 2313631755 ZPMUQEFXIIEIRG-UHFFFAOYSA-N 439.943 4.850 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O 2321601630 GQEACWGQHAPMTB-UHFFFAOYSA-N 436.898 4.677 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1OC 2321646764 JEALQKMLFDNAEH-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)O 16915632 AAQVSQRUUNGELB-YBFXNURJSA-N 443.546 4.571 10 10 IJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 205970261 NEZWKXAMKQMIRE-HAVVHWLPSA-N 441.487 4.619 10 10 IJCE C[C@H](Nc1ccc(I)c(Br)c1)c1c(O)cccc1O 388459970 ASIWWDUXPFIIEB-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE COCCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420341 LUBVQZRWNBABAS-UHFFFAOYSA-N 443.547 4.631 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 2040561037 MXGAEIIUYCXEAO-UHFFFAOYSA-N 440.634 4.753 10 10 IJCE CC[C@@H](NC1CC(F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104857596 NHEHMWMNKBTWPZ-SHBDPFAUSA-N 431.346 4.591 10 10 IJCE CC[C@@H](NC[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168240907 LZIPXSUVGPQBDR-OWDMVUQNSA-N 445.373 4.838 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 2297554617 MBWXHQDAMBGBNV-UHFFFAOYSA-N 438.618 4.889 10 10 IJCE CCOc1ccc(CCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1OCC 2323770070 AEZCYQFXUQCIDW-UHFFFAOYSA-N 429.563 4.634 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)ccc1OC(C)C 2332125455 DFHUGYITPGZALE-UHFFFAOYSA-N 436.405 4.966 10 10 IJCE Oc1cc(Br)ccc1CNc1cc(F)c(I)c(F)c1 2341214775 OQMAOOXPHMTOAU-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE Cc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCCCC2)c(O)c1Br 2352952729 PSIDLSRDBRHRDW-UHFFFAOYSA-N 427.383 4.780 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Br 2381144225 XQSQQAZSCLBKAX-BRWVUGGUSA-N 439.394 4.588 10 10 IJCE Cc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(C)n1-c1ccccc1 28700107 FMTBSWKLEKAHBC-ZHZULCJRSA-N 433.558 4.640 10 10 IJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 36558084 OWEFMRKDYCJYMI-HWBMXIPRSA-N 431.561 4.729 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 40888777 BJQCQWJXPVHYCY-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)cc2)SC1=S 40938632 IVJIGSDSXNQFKF-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE C/C(NCCc1cccs1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205954492 VFEQIGCOVBOUGO-LTGZKZEYSA-N 432.505 4.514 10 10 IJCE CCN1CCN(c2ccc(CN[C@@H]3CCCc4ncc(C(F)(F)F)cc43)cc2F)CC1 779024522 OZAMONDAEYUIAG-HXUWFJFHSA-N 436.497 4.549 10 10 IJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)N(C)C)cc1 1858594140 MSWSWGFIEOXUGI-LSCADSNKSA-N 432.998 4.853 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 1860076871 UPJRDJJVNNAJDL-QGOAFFKASA-N 443.546 4.676 10 10 IJCE CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(Cl)c(Cl)c4)nn3c2=O)cc1 1860790397 JZQLLCQQHGEFKS-WQRHYEAKSA-N 445.375 4.519 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)c2cccc(Oc3ccccc3)c2)c2nccn2C)cc1 1866007319 QHJNQRCLOYAJLY-DEOSSOPVSA-N 426.520 4.798 10 10 IJCE Cc1ccccc1-c1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1868168058 INKROLZCGJXLPJ-UHFFFAOYSA-N 436.467 4.915 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3c(O)cccc3Br)CCCCC[C@H]12 1966047049 ACSDAUXAOLBEPM-GHTZIAJQSA-N 439.394 4.957 10 10 IJCE COc1ccc(Br)c(CNC[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)c1O 2236051692 WOBUOZXCUPYGPP-QGZVFWFLSA-N 433.390 4.554 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1C 2294229438 TUBUXQWXGUCCID-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc(C)cc4C)c3)C(=O)N=C2S1 2297310331 AVZUCKPMSQGREK-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1OCC 2323812919 DQQYRHONQVQAJK-HNNXBMFYSA-N 437.583 4.575 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCC 2323844516 ZJYFYVVXOHDFAM-UHFFFAOYSA-N 443.546 4.584 10 10 IJCE Cc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c(O)c1Br 2381126671 AYMTVQKQZYVGHH-KRWDZBQOSA-N 435.362 4.819 10 10 IJCE CCNc1cc(N2CCN(C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 8603423 IPYYZAPYSMQELZ-UHFFFAOYSA-N 430.552 4.926 10 10 IJCE CCSC1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N12 104372672 PWBWEIIUOSMXDT-HSJXSQSUSA-N 427.530 4.563 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(CNC3CC3)cc2Br)C1 323520204 IELCMYKXWVZLFM-GOSISDBHSA-N 428.418 4.659 10 10 IJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526185304 KGQKNIWARGYNGF-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)c1cc(Br)ccc1O 707487830 KFYMKBADNKVEEG-YESZJQIVSA-N 427.383 4.983 10 10 IJCE COc1cc(C)cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C 785763453 FCAJRWNXZUDNIZ-PDGQHHTCSA-N 446.619 4.994 10 10 IJCE Cc1cncc(/C=C/C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)c1 799506411 LBSPXLNAERKARL-GORDUTHDSA-N 426.289 4.933 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 1460181297 YASJLDRZDZZKDL-UZLBHIALSA-N 436.980 4.860 10 10 IJCE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865933353 NGEDWTDCORSYHB-WZONZLPQSA-N 429.992 4.517 10 10 IJCE CCOc1ccc(CCNC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1OCC 1874172014 SLRKTZBQIACOLI-UHFFFAOYSA-N 436.552 4.873 10 10 IJCE CCCN[C@H](c1ccc(I)c(Br)c1)c1ccccc1O 2146250950 SWIHMQYIWSEBAB-MRXNPFEDSA-N 446.126 4.848 10 10 IJCE C[C@@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2152789180 HCZREIIIKJUMQA-MRXNPFEDSA-N 438.360 4.816 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2164517375 ZFNCTYKRCMYPFI-KISNFGTJSA-N 439.394 4.887 10 10 IJCE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2297470069 YYYCEOHTOYMESX-UHFFFAOYSA-N 429.505 4.663 10 10 IJCE Cc1ccc(CNC[C@@H]2CCCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2380797071 WNFZQDNBXZVUBD-MRXNPFEDSA-N 441.410 4.980 10 10 IJCE Cc1ccc(CNC[C@@]2(CNC(=O)OC(C)(C)C)CC23CCC3)c(O)c1Br 2380805475 NNGQDUCYTQTBEU-OAQYLSRUSA-N 439.394 4.638 10 10 IJCE O=C(O)CCOc1ccccc1/C=C1/SC(Nc2cccc(Cl)c2Cl)=NC1=O 16911818 XSBLTGVYCWILET-XNTDXEJSSA-N 437.304 4.929 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526493286 GPJUZFHKJVUJBO-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1865678360 ILQJBFZAJYQWAQ-NTEUORMPSA-N 432.879 4.697 10 10 IJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)CC2)cc1 1892103194 WJTWGZHCQLPAJJ-UHFFFAOYSA-N 442.968 4.527 10 10 IJCE CCN(CC)c1ccc([C@H](O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999522668 CSDHRBBSUGVPQE-GOTSBHOMSA-N 428.573 4.676 10 10 IJCE O=C(Cc1cccc(Br)c1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 2033809644 XCLFHLZAPHOBBX-UHFFFAOYSA-N 438.252 4.545 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12)c1cc(Br)ccc1O 2121236691 PILGWOXEZJOIBQ-XLNGHYISSA-N 425.367 4.593 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2210542393 XIQBFTZSHYTNAU-YTFSRNRJSA-N 447.539 4.897 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C 2293100670 MARBATGQZTXFPV-UHFFFAOYSA-N 448.906 4.697 10 10 IJCE Cc1cccc(OCCCOc2ccc(C)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293680450 BMVACIFBXSDEEH-UHFFFAOYSA-N 442.515 4.613 10 10 IJCE CCCOc1ccc(Br)cc1C=C1C(=O)N(c2cccc(C(=O)O)c2)N=C1C 2297109177 AZZUYYBTTMFOIJ-UHFFFAOYSA-N 443.297 4.742 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccco2)SC1=S 2314837429 SCNIFYUCVAWHTO-SNVBAGLBSA-N 426.441 4.527 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 2332107136 RKLBMWCUPLPPES-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 40938484 QDSGTOVJVXIHRQ-CPNJWEJPSA-N 427.547 4.640 10 10 IJCE C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 248245314 JIGWXFRYCIZDCD-QMHKHESXSA-N 430.529 4.631 10 10 IJCE CC[C@H](N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(Br)ccc1O 390063895 KVZDCTMCURDTEB-WMZOPIPTSA-N 439.394 4.985 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526401767 DBLMSBHSNHQUKT-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE Cc1cccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687752991 SZOFUXMYLBAXOE-SANMLTNESA-N 431.488 4.929 10 10 IJCE O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 741284582 MNWKIKBLFHCHOD-BHIYHBOVSA-N 435.442 4.602 10 10 IJCE CC[C@H]1CCc2nc(O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc2C1 1290758264 XXRJDAVZKDOSLN-SFHVURJKSA-N 433.552 4.804 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)ccc1O 1860085539 QOBGJXASWTVBSF-XSFVSMFZSA-N 426.563 4.797 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1sccc1Br 1881484478 XXICZFWCYFHUKQ-MRXNPFEDSA-N 440.407 4.672 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079037955 RWZBXKZOWQCKSJ-CQSZACIVSA-N 447.251 4.855 10 10 IJCE CC(C)c1nn(Cc2cc(F)ccc2O)c(I)c1C(F)(F)F 2079828100 CHKGNQKLNMAYQD-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@](CNCc2cc(Br)ccc2O)(C(C)(C)C)C1 2160958520 SUGCFDKRQBHIRU-OAQYLSRUSA-N 441.410 4.918 10 10 IJCE C[C@H](CCNCc1cc(Cl)cc(Br)c1O)CCNC(=O)OC(C)(C)C 2256654140 NDDZZHZYQAINEX-GFCCVEGCSA-N 435.790 4.839 10 10 IJCE CCCN[C@@H](c1ccccc1O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256694193 LXUZIULCHJGRFS-QHCPKHFHSA-N 440.584 4.887 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2293139920 LRNASMMNPIBKLP-LJQANCHMSA-N 443.546 4.511 10 10 IJCE CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)c1 2321734586 FTBBZRHFJXOQHC-UHFFFAOYSA-N 440.590 4.716 10 10 IJCE Cc1ccc(CN[C@@H]2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131845 SPIHMRLHPVHXDA-XRIURRBSSA-N 439.394 4.635 10 10 IJCE Cc1ccc(CNCC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381137387 HBGJECIXRQIGLT-HRAATJIYSA-N 439.394 4.590 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc([N+](=O)[O-])c1O 96505183 ULNAWSAHVAOHDF-CPNJWEJPSA-N 429.432 4.534 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2ccc(I)c(Br)c2)c1 312272689 NVCSVYWGQFBKHX-SECBINFHSA-N 448.098 4.941 10 10 IJCE COc1ccc([C@H](C)Nc2ccc(I)cc2Br)c(O)c1 312544728 IOMUIGFKYBEDSW-VIFPVBQESA-N 448.098 4.941 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526150559 UDFQYTOGLJVLHP-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 526401650 GONUWMSHYLQQQR-HSZRJFAPSA-N 447.487 4.871 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 720829397 ZCIBODOBUBWURL-WCAVRKLYSA-N 428.418 4.688 10 10 IJCE Cc1ccc(/C=C/C(=O)Nc2ccc(N(C)C(=O)/C=C/c3ccc(C)nc3)c(F)c2)cn1 754317582 KWLVDHYOHDSLJU-QHKWOANTSA-N 430.483 4.561 10 10 IJCE FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 754784174 CWEIRNGJPRLTCH-MBSDFSHPSA-N 434.502 4.800 10 10 IJCE Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1NC(=O)c1cccs1 758726458 XPALEUBBWQRKPT-GOSISDBHSA-N 449.576 4.636 10 10 IJCE COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 795547003 HYPRLUFLUOHTJW-UHFFFAOYSA-N 443.333 4.704 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1858589735 HIOGMROZYZGQMY-COLQNHTLSA-N 446.638 4.714 10 10 IJCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865667395 UUWZTFSQFXBPRI-HAVVHWLPSA-N 442.515 4.585 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(C(C)C)C2=O)cc1 1873423719 HTVPFVHLCSFHLX-UHFFFAOYSA-N 442.563 4.761 10 10 IJCE CC(C)[C@H](C)[C@@H](CNCc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C 1967798688 RVEICMBSVIRDST-BLLLJJGKSA-N 433.362 4.569 10 10 IJCE CN(C)c1ccc(C=C2SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 2040465885 QURBXOVHJBWDEZ-UHFFFAOYSA-N 442.588 4.698 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)SC1=S 2314769561 RXLASBBCAZKQMI-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)C[C@H]2CCC[C@H]21 2360209341 BJSHQSVNVYLTQE-ISTRZQFTSA-N 443.357 4.562 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470842 VHSMKPIQVKBGQU-ZOCZFRKYSA-N 447.944 4.761 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 20681110 VWLGXFIQUGPGQA-FUHIMQAGSA-N 427.342 4.652 10 10 IJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)cc1 33438344 OSWWNMIAUVYAMS-GDUPUGJQSA-N 436.602 4.602 10 10 IJCE COc1cc(C)cc(O)c1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687740969 GTKJGYXYOBXVGR-NRFANRHFSA-N 447.487 4.764 10 10 IJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1O 687756025 KGJWDNXXVSOBJJ-RUZDIDTESA-N 435.451 4.760 10 10 IJCE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCSc1nccs1 1705501582 KIWDKWPSMPJVHD-HNNXBMFYSA-N 448.017 4.607 10 10 IJCE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1937208609 GTIVZEZOEHJXAF-KRWDZBQOSA-N 448.519 4.609 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N[C@H]1CCCc2ccccc21 2040495971 MMQPXLLHYIAKLZ-IBGZPJMESA-N 440.565 4.611 10 10 IJCE Cc1cccc(Cn2nc(C3CCC3)c(I)c2C(F)(F)F)c1O 2079023621 SRNRIVRQXKBJBO-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE Oc1c(Cl)cccc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079837306 VKZMHXHUVFXQLU-UHFFFAOYSA-N 442.606 4.791 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)c1cc(Br)ccc1O 2090373862 FWBFDAAYWGQZNO-JYJNAYRXSA-N 431.346 4.543 10 10 IJCE C[C@H]1C[C@@H](N(C)c2ccc(C=CC(=O)O)c(Br)c2)CN1Cc1ccccc1 2154831593 LVBMJNSEBVRFSE-OXJNMPFZSA-N 429.358 4.646 10 10 IJCE CC[C@@H](NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2225549783 FGRAQPKANNTRNZ-UZLBHIALSA-N 427.383 4.985 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2293308589 BANTVKSBZGLEMW-GFCCVEGCSA-N 433.938 4.593 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(Cl)c(Cl)c1 2313501992 SXNQEEKWYJEURA-UHFFFAOYSA-N 439.345 4.993 10 10 IJCE COc1ccc(N2CCN(C(=O)Cc3cn(Cc4ccccc4)c4ccccc34)CC2)cc1 9523446 YORPFWOCPXEZCB-UHFFFAOYSA-N 439.559 4.590 10 10 IJCE CCCCc1ccc(N2C(=O)S[C@H](CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 16926394 JCMCVYDLBOKXTN-GOSISDBHSA-N 432.929 4.985 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc1O 20071140 TXMIUOZIVKWGQE-KBMIEXCESA-N 432.476 4.666 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)cc1OC 33458254 WKSMVCCYEODPEA-WQRHYEAKSA-N 428.872 4.642 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 39870154 QCOQKJNPJUIFEK-XDHOZWIPSA-N 449.444 4.724 10 10 IJCE CN1C(=O)C(C)(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)ccc21 170549567 QSFHGUOMSGKEAZ-UHFFFAOYSA-N 447.969 4.518 10 10 IJCE C/C(NC1Cc2ccccc2C1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 206229675 NEEITQFSFFAROW-LDADJPATSA-N 442.466 4.592 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 303313166 GFVQJZQPEMEUNW-UHFFFAOYSA-N 428.492 4.713 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 702071157 JHZHLBXUSKDEIP-REWPJTCUSA-N 428.418 4.517 10 10 IJCE CC[C@@H](C)N(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2c1C(=O)c1ccccc1C2=O 1859910896 OGTISKMJKHGLKU-MRXNPFEDSA-N 442.471 4.744 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc4ccccc4n3Cc3ccccc3)CC2)cc1 1860181991 AWWQOXGXJZIOBW-UHFFFAOYSA-N 425.532 4.661 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872957242 YTJGMFDIDJELAT-UHFFFAOYSA-N 444.487 4.503 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(Cc3ccco3)C2=O)cc1 1873165716 QZHSWPGTGQKJKR-UHFFFAOYSA-N 443.547 4.890 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCCN2C 2044731763 XNWGOXLHLQMQQO-GKVQRAMASA-N 440.584 4.601 10 10 IJCE COc1ccc(Cn2nc(C3(C)CC3)c(C3CCC3)c2I)c(O)c1 2079712924 TUODNAOYEJMCRL-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148936876 ZTIHMHXKDAPKAX-YSIASYRMSA-N 429.402 4.851 10 10 IJCE CN(C[C@H](O)c1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2169720674 POAGOCCVFUMDJI-IBGZPJMESA-N 435.362 4.644 10 10 IJCE CC[C@@H](NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2174312165 BETZHWFSXCWYFV-MOIQIXESSA-N 439.394 4.983 10 10 IJCE Cc1cc2c3c(c1)C(C)(C)CC1(CCCCCC1)N3C(=O)/C2=C1\SC(=S)NC1=O 2185889646 YXCOAYJXQBXEKS-VLGSPTGOSA-N 426.607 4.975 10 10 IJCE CC[C@H](NC[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1cc(Br)ccc1O 2203634152 JEXGPYLAFGJSCY-BGTYHANMSA-N 439.394 4.698 10 10 IJCE CN(CC[C@H](NCc1ccc(Br)cc1O)C(C)(C)C)C(=O)OC(C)(C)C 2278584310 SJVLRTPONKRSME-KRWDZBQOSA-N 429.399 4.916 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280341172 BMSUPZSABCUJRR-LLVKDONJSA-N 445.142 4.710 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)cc1 2293473738 XHHCSQFCRSZSJF-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3)SC2=S)cc1 2313502014 WQYJYUYPQVMECO-UHFFFAOYSA-N 432.954 4.788 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(N2CCCCC2)cc1 2321685158 OQYINBBGRYLDGJ-UHFFFAOYSA-N 425.535 4.991 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccccc2F)N=C1c1ccccc1 2332140997 BUIIWVDOTJIGBV-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccccc1 33871551 CFAXLSKZDBSOKL-MNDPQUGUSA-N 444.647 4.869 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526320199 HFOYWIVXMLMDHP-XMMPIXPASA-N 447.487 4.871 10 10 IJCE c1ccc(-c2cnc(SCCc3nnnn3-c3ccccc3)n2Cc2ccco2)cc1 917205181 LXRYQSGYBBTESW-UHFFFAOYSA-N 428.521 4.502 10 10 IJCE Nc1ccc(Cn2c(-c3cccc(I)c3)nc3ccccc32)cc1 953079154 GQOJJFBQUYPKKQ-UHFFFAOYSA-N 425.273 4.938 10 10 IJCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(Cc2nc(O)c3ccccc3n2)C(C)C)c1 1630912833 WARTZZFQENRVQD-UHFFFAOYSA-N 442.519 4.606 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)c1cc(Cl)cc(Br)c1O 1951734203 ZREWCIPTGSTUET-OAHLLOKOSA-N 442.693 4.640 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)CC12CC2 1965986836 BXKSZWKTYYWMOK-CQSZACIVSA-N 445.785 4.830 10 10 IJCE COc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080033428 KBIXRCPHFNYKNK-INIZCTEOSA-N 437.334 4.745 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3cc(Br)ccc3O)CCCCC[C@@H]12 2153949519 GJVYBQMWLJRWSL-WIYYLYMNSA-N 439.394 4.957 10 10 IJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)o1 2293763529 DBXNRMKMCHSRRI-UHFFFAOYSA-N 438.530 4.909 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccccc2[N+](=O)[O-])cc1 2332144725 ISTVKBCGLOTXQI-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 20695478 SQVUOGYRHWFBOD-CLWLKPMESA-N 444.984 4.624 10 10 IJCE C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2Br)CCN1Cc1ccccc1 382605242 RGCBJBILMTXGRY-SECOEOQKSA-N 429.358 4.648 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526222960 CBFFLDONTOXLKU-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)CC2)cc1 758969366 MDFBZCLEILFUBN-UHFFFAOYSA-N 449.576 4.716 10 10 IJCE CN(c1ccc(C=CC(=O)O)cc1Br)C1CCN(Cc2ccccc2)CC1 1912009448 YYIQJSRWPHYOKQ-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(N)c2I)C2(C)CC2)cc1C 2079853293 DXVZKFGUKSJFBO-AWEZNQCLSA-N 447.267 4.719 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(Br)c2O)C(F)(F)CC1 2284560642 VQQXHNUSCKAYNV-OAHLLOKOSA-N 449.336 4.669 10 10 IJCE O=C1NC(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 2294046296 BEVJUNUVZAXNEF-UHFFFAOYSA-N 434.298 4.826 10 10 IJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2314837280 QLLDPTCEJMSLOL-GFCCVEGCSA-N 432.954 4.577 10 10 IJCE COc1cc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc(OC)c1OC 2321738557 QPIKRUDGGBEKIY-UHFFFAOYSA-N 439.917 4.911 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)c(OC)c1 20071116 RLUQDFPZOBALDB-QFQXNSOFSA-N 446.503 4.969 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(C)C 33855224 BRWYMPDSTYJFOS-UKWGHVSLSA-N 443.546 4.865 10 10 IJCE CN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3nsc4ccccc34)c2)cc1 35447613 ICYHJZRINDQAJG-UHFFFAOYSA-N 430.533 4.545 10 10 IJCE CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2ccc(Br)cc2)cc1 39882031 ISEJFMAEVKMQTI-XMHGGMMESA-N 444.373 4.657 10 10 IJCE O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC2(CCOCC2)c2ccccc21 481465932 QLODLQJVUZCDEN-UHFFFAOYSA-N 436.515 4.643 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526140988 BDKHDDFKSXFKOJ-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642367 QIWJKCMKBZMADL-NTKDMRAZSA-N 429.555 4.757 10 10 IJCE CC(=O)CCc1ccc(O[C@H](C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 1461964187 ACVAFKKLDUMRSY-JOCHJYFZSA-N 432.564 4.742 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c1O 1658634949 NQUUEJYSEVOHFZ-UHFFFAOYSA-N 446.975 4.818 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 1858591062 WCTPSYHSLOPERQ-DJKKODMXSA-N 445.606 4.882 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc(Br)c1O 1865666328 KHHMQWUWIRHSGM-VIZOYTHASA-N 435.705 4.618 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC(=O)c2ccccc2)cc1 1866003262 CCRUIPBVOKNVLZ-UHFFFAOYSA-N 447.446 4.934 10 10 IJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873167962 DVHDXOVKDQWRFO-LJQANCHMSA-N 441.575 4.805 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=O)N[C@H](C)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059009092 ZKTWKZMPKUKIIC-QBDUZEJASA-N 440.975 4.851 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190561957 TWMHCXXOQOYTOJ-NWUWZPLHSA-N 433.365 4.867 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=S 2296882480 WHBXWRIONMPOQF-KRWDZBQOSA-N 427.547 4.638 10 10 IJCE COc1ccc(C=C2SC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=S)cc1 2297555256 MHKQKERTACUZQK-UHFFFAOYSA-N 442.606 4.617 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1 2321582909 YFMKRGVNKMKKEZ-UHFFFAOYSA-N 426.563 4.710 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc(OC)c1O 2332147804 YXDXFDDLQVUKAB-UHFFFAOYSA-N 442.515 4.856 10 10 IJCE Cc1ccc(CNC2CCC3(CC2)C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381133214 LPKITZMPLRCPGO-TZQQIIETSA-N 439.394 4.779 10 10 IJCE O=C(CCCN1C(=O)S/C(=C\c2ccccc2)C1=S)Nc1cccc(C(=O)O)c1 1050338 YFAPFDRRUXKZBJ-ATVHPVEESA-N 426.519 4.641 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14471216 RHKMAENALHRCBX-CKJXQJPGSA-N 441.915 4.841 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 16911937 NMEDOYRBSTUHID-GZTJUZNOSA-N 449.937 4.608 10 10 IJCE COc1cc(Br)c(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC 27501300 YWTQOVJVLJPKGJ-CHHVJCJISA-N 435.705 4.926 10 10 IJCE Cc1cc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)CC2)nc(C(C)C)n1 31493617 XMOBZUIWCCRQJR-UHFFFAOYSA-N 431.584 4.587 10 10 IJCE COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 40867640 KAMRAOXQNPUIIF-GDNBJRDFSA-N 434.336 4.642 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 226861820 YHRWLHWQJVJCJD-IPVFLDMMSA-N 449.595 4.602 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(-c2cc(C)c(C)cc2[N+](=O)[O-])co1 607719290 GGZABJSKSRTVIQ-JAIQZWGSSA-N 445.431 4.976 10 10 IJCE O=S(=O)(c1ccc(Br)s1)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183640 QMGAJDLQJGUPDD-OAHLLOKOSA-N 437.384 4.547 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3ccccn3)N=C2C)ccc1OCCCc1ccccc1 1865671382 YIHUIRFBYCUZGQ-OQKWZONESA-N 427.504 4.908 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)s1 1890803108 JCXZNTWCYHWZGX-UHFFFAOYSA-N 437.312 4.713 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(C)c1O 1901487591 HXJSVJGUPSZIFM-DEOSSOPVSA-N 444.531 4.634 10 10 IJCE O=C(NOCCCNCc1ccc2c(c1)CCO2)OCC1c2ccccc2-c2ccccc21 1937209844 NKSRSGJBAOCKEL-UHFFFAOYSA-N 444.531 4.572 10 10 IJCE COc1ccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 1937211080 ZQEMLZICOHTPEA-UHFFFAOYSA-N 446.547 4.954 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 2044760840 QYFSZHRASUEGQG-WUMKDDEVSA-N 439.600 4.785 10 10 IJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1CO 2079957261 JTSPSJWLBJXDNY-QGZVFWFLSA-N 442.341 4.500 10 10 IJCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 2332134674 WZNGNRFCQZWGBD-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE Cc1ccc(CNC[C@]2(NC(=O)OC(C)(C)C)CCC[C@@H]3C[C@@H]32)c(O)c1Br 2380810096 UEIOLNFQYMTTKZ-IVZHQMGZSA-N 439.394 4.636 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCc3ccccc3C2)cc1 16914211 LWZUZZZBZXEHFV-DEOSSOPVSA-N 435.518 4.560 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc1OC 16936332 ZJJPGWVZSDKXBA-UNOMPAQXSA-N 426.494 4.655 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1 33286738 SGUHYKUXWHHKMF-LICLKQGHSA-N 432.701 4.980 10 10 IJCE COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 33332197 GUBXMYPVOOVIDY-UYRXBGFRSA-N 449.507 4.913 10 10 IJCE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1C)C[C@@H](c1cc(Cl)ccc1O)N2 65298053 ABHUYOSTQLKWMM-QFIPXVFZSA-N 425.960 4.525 10 10 IJCE biogenic COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 205951381 NHFSPDGCLISBBD-HKOYGPOVSA-N 429.495 4.692 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC(OCc4ccccc4)CC3)ccc(N)c2C1 383985386 AJQPSCKPKKQSDZ-UHFFFAOYSA-N 437.584 4.748 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 399681682 BBZJZKFDJISEQI-RTWAWAEBSA-N 428.418 4.802 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1 526479993 RZLOXMTVTDOMGU-NRFANRHFSA-N 434.517 4.658 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 717414838 ASEVEOVVNZVXPQ-RBBKRZOGSA-N 428.418 4.802 10 10 IJCE CC[C@H](NCc1cc(C)cc(Br)c1O)[C@H](c1ccc(C)cc1)n1cncn1 781637952 ZVGUUDBQUVMERG-PMACEKPBSA-N 429.362 4.521 10 10 IJCE COc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)cc1OC 788843114 ZMWZCCAUNRNAOZ-UHFFFAOYSA-N 430.960 4.651 10 10 IJCE COc1ccc(Cn2nc(C(C)C)c(C(C)(C)C)c2I)c(O)c1 2079776576 ZUMXAKIRHGAMEK-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)cc(F)c2O)CCC1(C)C 2099902757 UEYRNUBYUMWQQD-AWEZNQCLSA-N 431.346 4.562 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNCc2c(O)cccc2Br)CC1 2178642357 TZRGQVZJQUTVFG-LDTOLXSISA-N 445.373 4.668 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 2297559591 RMOVFYFDKAOTRU-UHFFFAOYSA-N 446.334 4.805 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(OC)c(O)c2)cc1 2332100032 DUBKQTGEUMBNGY-UHFFFAOYSA-N 428.488 4.548 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccncc2)cc1 2332129621 WDAPMEWWHFFGFK-UHFFFAOYSA-N 434.293 4.687 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCCC(=O)O 16919498 ASIPUDOBXVEWST-CPNJWEJPSA-N 443.546 4.653 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(C(=O)OCC)cc1 17100115 MOFPCESOXMFQRT-RCCKNPSSSA-N 436.468 4.660 10 10 IJCE COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)c(OC)c1 20071262 MMSMGEBPDAHJHK-BWKNWUBXSA-N 432.476 4.660 10 10 IJCE CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 105804521 SUGXVVPDVZPYAR-UHFFFAOYSA-N 447.535 4.600 10 10 IJCE CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)s1 109310405 HCPULIKQZYXCHG-DEOSSOPVSA-N 430.529 4.762 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(CNCc2cccc(Br)c2O)c(F)c1 404782145 RCFGQOMJBXMSGX-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526152402 WYAQNNMNSNXTGL-HSZRJFAPSA-N 448.494 4.966 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(CNCc2c(O)cccc2Br)c(F)c1 706844373 MNRVKGSSAUWGSB-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N3CCCCC3)cc1)O[C@H](C)C2 730536523 FTRVMCFSUITYOR-RVSNTGDXSA-N 434.580 4.819 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 1519155961 KFWKNKLIYFDRLO-IWLLYFRBSA-N 434.458 4.703 10 10 IJCE CCOc1ccc(CCNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OCC 1538888445 BXHSETRQIAKVOS-UHFFFAOYSA-N 436.552 4.873 10 10 IJCE CC(=O)c1ccccc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 1623921156 LFOIJSXZCJZHSZ-UHFFFAOYSA-N 427.548 4.506 10 10 IJCE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCSc1nccs1 1705675389 NDSWYDAURJJLBB-JOCHJYFZSA-N 441.601 4.639 10 10 IJCE CCCN[C@@H](C)c1ccc(N(CC(=O)N(C)C)Cc2ccccc2)c(Br)c1 2152238811 AFKKSQDIFCXKJA-KRWDZBQOSA-N 432.406 4.605 10 10 IJCE CCn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc21 8807623 IHHCUOBOXRQEQG-UHFFFAOYSA-N 441.512 4.562 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 14469548 QLCIFXRDEDEWDD-SGIRGMQISA-N 432.545 4.740 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 33389214 XDEDWBSZPTVWPY-AQTBWJFISA-N 442.313 4.802 10 10 IJCE CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 97998740 GNFFYZLYIZHBOG-QINSGFPZSA-N 433.596 4.575 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 380692879 MFOYJHNJOUFROX-DUXKGJEZSA-N 428.418 4.688 10 10 IJCE c1ccc(CN(Cc2ccccc2)C2(CNCc3ccc(N4CCCC4)cc3)COC2)cc1 705696404 BFCCMXACVNYYAQ-UHFFFAOYSA-N 441.619 4.848 10 10 IJCE CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(Br)ccc1O 723810612 WWSKUHPBPCAQLT-KEYYUXOJSA-N 427.383 4.698 10 10 IJCE CC(=O)N1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC12CCCCC2 1458567366 GCOIMYHHTGTTGN-UHFFFAOYSA-N 427.976 4.755 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)c1 1860084408 WLBWMRFJHVZJCN-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)NC2CCCCC2)sc(C)c1-c1ccc(C)c(C)c1 1860760997 LXGLIXFGDVRGEH-UHFFFAOYSA-N 428.554 4.514 10 10 IJCE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2040484230 XVLKFGKTKIOORI-UHFFFAOYSA-N 428.580 4.984 10 10 IJCE COc1ccc(O)c([C@@H](C)n2ncc(C3CCCCC3)c2I)c1 2070203403 NZNQNGJHQFAKSS-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE CN[C@@H](c1ccccc1O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237416865 FQVMBENSPXEYJE-HKUYNNGSSA-N 435.362 4.551 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2ccc(I)cc2)cc1Br 2280273964 UJBPVHFAJRUFDH-LLVKDONJSA-N 445.142 4.710 10 10 IJCE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1 2296683341 IZACBFSGCBGGMK-GOSISDBHSA-N 441.574 4.654 10 10 IJCE COc1ccc(-n2nnnc2C=CNc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2297451449 WJGHHOIZPIINNU-UHFFFAOYSA-N 431.883 4.638 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2313517510 HBCQXBPBBFPORC-UHFFFAOYSA-N 425.444 4.826 10 10 IJCE O=C(Nc1nccs1)C(Cc1ccccc1)=C1SC(=S)N(c2ccccc2)C1=O 2314486854 NCNHWZYVPDCCFR-UHFFFAOYSA-N 437.571 4.643 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@H](CC)C(=O)O)cc2)SC1=S 2314929748 RDZOTHDEGMBDGE-GOSISDBHSA-N 427.547 4.897 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147461 FMPIMFUUZTWWBN-UHFFFAOYSA-N 444.487 4.561 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352952734 PSMWOQPDXKOYHG-HOCLYGCPSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)c(O)c1Br 2381133587 QUHVCXFMFWMYSU-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462269 IPWSYKBOFQDXEL-JCYRPKCISA-N 431.580 4.832 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2c(O)ccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1 14548106 ADJPMOFSTCQLPS-NTOOTBGVSA-N 439.559 4.760 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 40859594 MZWRHTUZKDMDLN-YBEGLDIGSA-N 448.909 4.831 10 10 IJCE CC[C@H](N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 401719197 AFTXNKCJTHUUIF-GXTWGEPZSA-N 441.288 4.651 10 10 IJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(OCc2cscn2)c1 754535369 JONTUTXDHZHPQH-UHFFFAOYSA-N 440.480 4.750 10 10 IJCE O=C1CCN1c1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 798346558 JRZRNYFCLWQLQB-JOCHJYFZSA-N 439.475 4.583 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1ccc(Br)cc1O)C2 1257631060 CPNUXPXYQCNRAK-IRXDYDNUSA-N 425.367 4.565 10 10 IJCE COc1ccccc1CN(Cc1cc(F)cc(C(C)=O)c1O)c1ccc2nc(O)[nH]c2c1 1473241465 GNZGMCOBCFSUAN-UHFFFAOYSA-N 435.455 4.531 10 10 IJCE COc1cc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 1858588609 OMMXZRKGRVCHJB-BEKAPRCSSA-N 433.595 4.738 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 1865679709 BWAFTIBYNXBWOT-WQLSENKSSA-N 427.741 4.731 10 10 IJCE Cn1ccc2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc21 1951407641 QZCUNUROEOZFTB-XMMPIXPASA-N 440.499 4.713 10 10 IJCE C[C@H](NCc1cccc(Br)c1O)c1csc(NC(=O)OC(C)(C)C)n1 2051182567 SVNYGZIVZDKMFK-JTQLQIEISA-N 428.352 4.809 10 10 IJCE COc1ccc(Br)c(CN[C@H]2CCCCCN(Cc3ccccc3)C2)c1O 2236054608 KHNNWNQHORIALZ-SFHVURJKSA-N 433.390 4.698 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N2O1 2297347612 NLOATJNHIFMHFG-UHFFFAOYSA-N 437.883 4.638 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470908 SLBQDACXIZQEOH-XFQAVAEZSA-N 447.944 4.763 10 10 IJCE COCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCCCC2)SC1=S 38732130 JICJGXSNDDQGQY-CYVLTUHYSA-N 441.622 4.771 10 10 IJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)cc1 575547989 DUIVBDHATISOQO-DEOSSOPVSA-N 432.568 4.580 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc(Br)c1O 1865666665 REMYUOFVJYDGJD-VIZOYTHASA-N 435.705 4.618 10 10 IJCE CCc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 2040479865 BLNIMHKBWJNKAW-MRXNPFEDSA-N 447.603 4.917 10 10 IJCE O=C1C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC(=S)N1Cc1ccco1 2296537537 VFDPJBCUFLUEOB-UHFFFAOYSA-N 432.526 4.598 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2313653102 PRKNZIQNKWPHHG-UHFFFAOYSA-N 440.329 4.710 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccccc2Cl)C1=O)C(=O)O 2314932557 NVULLKNTJBRYHJ-HNNXBMFYSA-N 433.938 4.988 10 10 IJCE CCOC(=O)c1c(NC(=O)C=Cc2cncnc2)sc(C)c1-c1ccc(Cl)cc1 2330008090 MPPLYMGCXIVHIE-UHFFFAOYSA-N 427.913 4.996 10 10 IJCE Cc1ccc(CNCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352680314 PSTSHIOJDUKJIU-INIZCTEOSA-N 427.383 4.732 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(C)C 13343129 YFWKCAIXWYPGDV-PDGQHHTCSA-N 437.583 4.576 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469267 UGPGXVFJGFCGQO-JXQFQVJHSA-N 434.536 4.975 10 10 IJCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(C(C)C)cc4)c3[N+](=O)[O-])CC2)cc1 40594361 ZPCLUPQRCLXZOI-UHFFFAOYSA-N 448.527 4.587 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)c1 54620868 YMKKUTQHZSAMLK-QHCPKHFHSA-N 432.476 4.928 10 10 IJCE CCCOC(=O)CCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=S 206873942 OUUQEROUKGMXQR-RGEXLXHISA-N 429.563 4.783 10 10 IJCE CC(C)N(C(=O)CCC(=O)c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859889723 XRLMOZGWSNOYSS-UHFFFAOYSA-N 425.484 4.867 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)c1 1860085714 VYQLOZYZVHKQAW-LICLKQGHSA-N 433.938 4.931 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c2nccn2C)cc1 1865952723 BXMICSIWQDDXQZ-IZZNHLLZSA-N 438.575 4.718 10 10 IJCE CCN(CC)C(=O)CCCC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1866255993 HOZQBSWMIDQVEM-UHFFFAOYSA-N 430.570 4.796 10 10 IJCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875690725 XQZLAYVHOZGXGH-DEOSSOPVSA-N 445.523 4.661 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2079003911 IBNYYQJSJHROCR-SFHVURJKSA-N 438.309 4.827 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2cc(Br)ccc2O)CC1 2093976823 JNPHXTIDNGTLLT-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148939113 OIXADVREVDFAHX-DFQSSKMNSA-N 428.418 4.817 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2164517376 ZFNCTYKRCMYPFI-WTGZGRDKSA-N 439.394 4.887 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2188882862 FTYJNVQBZMGNAA-MONBJTKQSA-N 428.418 4.830 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2c(O)cccc2Br)CC1 2277881891 VAASWXDUXKFQKJ-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 2296754813 BYHACMAKZXSDNZ-UHFFFAOYSA-N 438.618 4.589 10 10 IJCE CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S 2297497804 MMSHKFXRRZZVFT-UHFFFAOYSA-N 434.571 4.980 10 10 IJCE CCCCOCCCN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323744120 YZYGAXFVEARYQI-UHFFFAOYSA-N 432.380 4.996 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(C[C@@H](c2ccccc2)N2CCCC2)C1=O 2323886715 PIQMIUMCBSYSCG-FQEVSTJZSA-N 448.617 4.681 10 10 IJCE CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2332115218 YYXHKIHHJUTOEK-UHFFFAOYSA-N 445.313 4.671 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 2332147438 DMUFPIASYCQHSL-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C(C)(C)C)c(O)c1Br 2352685456 FIDJBDLPTVYQDK-YOEHRIQHSA-N 427.383 4.587 10 10 IJCE Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1Br 2381142832 NCIMWICVADNXPK-DLBZAZTESA-N 443.307 4.616 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)cc2)SC1=S 206842716 RKTCAUUWSSFCOZ-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 526554764 ALKVZQXWIXGMCQ-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 705965219 DHYFNECWCYTZEU-VSDWSMLSSA-N 428.418 4.817 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc(N=Nc2cc(Br)cc(C)c2O)cc1 1084146338 MJYLBEVBSMZLBB-UHFFFAOYSA-N 426.336 4.909 10 10 IJCE CC(=O)N(c1nc(CN2CCOc3cc(N(C)C)ccc32)cs1)c1ccc(F)cc1F 1621230718 MYXGFQRJQDFGIY-UHFFFAOYSA-N 444.507 4.571 10 10 IJCE Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCCCCCCCCCC(=O)O 1857911223 VJWMUOLKDLCTDD-UHFFFAOYSA-N 444.572 4.792 10 10 IJCE CCN(CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1866173795 QWOVRRLUWZIZCO-SANMLTNESA-N 436.644 4.703 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 1872957771 GRKPACUMZBSIGP-UHFFFAOYSA-N 443.503 4.531 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 1925596499 ZLXWSNJSESEEPJ-WBVHZDCISA-N 425.367 4.737 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3c(O)cccc3Br)CCC[C@@H]12 2098312880 PMKMLFGTGOOONV-YLJYHZDGSA-N 425.367 4.567 10 10 IJCE CC[C@H](NC1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2160170261 ZXFFMIMNZMKJHE-ZQIUZPCESA-N 439.394 4.841 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Br)cc(F)c2O)CC1(C)C 2172452401 DIEFQCVDNDWWFW-CYBMUJFWSA-N 445.373 4.809 10 10 IJCE Cc1cccc(C)c1OCCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1 2297313900 JNHHXNWXNGVUMG-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE Cc1ccccc1C1=NN2C(=N)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 2297344269 QYKZXYURCNJAKO-UHFFFAOYSA-N 431.304 4.675 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1Cl 2313682818 LIDKPMILGKURLS-UHFFFAOYSA-N 440.912 4.602 10 10 IJCE O=C1C(=Cc2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C[C@@H]1CCCO1 2314648355 XLZZAQYRIDKMDT-SFHVURJKSA-N 439.606 4.605 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1 2318753387 OXMMODNZZJMGNO-UHFFFAOYSA-N 426.563 4.632 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1 1908810 DLLZCQXLKNDELT-XDJHFCHBSA-N 426.563 4.793 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468735 CEOPADWUKNSSMC-XLNZFTOWSA-N 432.520 4.683 10 10 IJCE Cc1cccc(C2=NN3C(=N)/C(=C\c4cccn4-c4cccc(F)c4)C(=O)N=C3S2)c1 20210657 XUYHTSLVCGINNI-WKCGMSKDSA-N 429.480 4.592 10 10 IJCE COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)c(F)c3)C2=O)cc(OC)c1OC 103405667 KEWYCFRJYNFXCD-CIAFOILYSA-N 446.478 4.994 10 10 IJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 108002320 AXNUQPOIPKFZLA-UHFFFAOYSA-N 429.351 4.758 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2ccc(I)c(Br)c2)c1 312272691 NVCSVYWGQFBKHX-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526394714 TYSSYAXATJPLFU-XMMPIXPASA-N 445.494 4.907 10 10 IJCE COc1ccc([C@H](C)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(O)c1 705697350 LYJVNPVKOMLTPO-NRFANRHFSA-N 432.564 4.523 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNCCCOCCOCc1ccccc1 708132264 COCXZCLIURYOIM-UHFFFAOYSA-N 428.754 4.521 10 10 IJCE CCCc1cc(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 1614472417 HNBXDNQNJAZIOU-DYESRHJHSA-N 432.992 4.801 10 10 IJCE Cc1c(C(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cccc1[N+](=O)[O-] 1859889732 YGDSXLJMFPKZMH-UHFFFAOYSA-N 428.444 4.734 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 1860084157 NETMWZCXJHYXHG-OQLLNIDSSA-N 430.898 4.610 10 10 IJCE CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1-c1ccc(Cl)cc1 1860626459 KRVQHAZHHCIESY-UHFFFAOYSA-N 448.972 4.751 10 10 IJCE Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2cccc(C)c2n1 1866271740 RXZBAEQQIJHFGC-VWLOTQADSA-N 430.596 4.875 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1O 1952009131 JJQHVIJHHSNUOC-VWLOTQADSA-N 435.476 4.588 10 10 IJCE COc1cccc(Cn2nc(C3(C)CC3)c(C3CCC3)c2I)c1O 2079698724 VIRNRCSYCOHUJQ-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE Cc1c(C(C)(C)C)nn(Cc2c(O)cccc2Br)c1I 2079807507 DVAFAPNRCXVXFD-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Br)ccc3O)CCC[C@H]12 2098313778 SMHQCKNXFOVVLE-FXAWDEMLSA-N 425.367 4.567 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@@H]1CN(Cc2ccccc2)CC2(CCC2)C1 2151124566 BKBTZKPXBUWIOU-IBGZPJMESA-N 433.365 4.828 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)C[C@H]2CCCC[C@@H]21 2240995808 JMBKBWCWMRPTLT-HFTRVMKXSA-N 439.394 4.813 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccccc1O 2297449472 HGMULGARZZDBOD-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837839 XIPUAZXNLVWCJN-MRXNPFEDSA-N 438.618 4.890 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15039370 JKJAUTKGQMRULS-PDGQHHTCSA-N 446.981 4.974 10 10 IJCE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1Cc1ccccc1 20414430 SDKVPNIVHJHFNS-GDNBJRDFSA-N 437.327 4.693 10 10 IJCE C[C@@H](Nc1cc(Br)ccc1I)c1cc(O)ccc1O 311652817 UJUMGBBXZYGPSA-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)C12CCCC2 401503535 FJGIRNVJLMWIMF-KRWDZBQOSA-N 425.367 4.567 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526340947 GOKZJDBISBFBJO-DEOSSOPVSA-N 447.487 4.951 10 10 IJCE CCCOc1ccccc1C(=O)NCc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1859099751 OVYMITJMWHWGNT-UHFFFAOYSA-N 431.536 4.724 10 10 IJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)c1 1860087498 BLIUWURLHAKNPL-IFRROFPPSA-N 440.546 4.610 10 10 IJCE Cc1cc(Cl)cc2c(O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc12 1866511436 TYUIZYPATQNWRB-UHFFFAOYSA-N 442.858 4.930 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(Cl)cc5)nc4c3)CC2)cc1 1873506917 UYFSXELZDIDKPY-UHFFFAOYSA-N 446.938 4.854 10 10 IJCE CCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S 2040496858 VTAZPLGFWFTGIL-UHFFFAOYSA-N 439.534 4.717 10 10 IJCE CC(C)[C@@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2290023512 JXURDHCJADPFSY-HXUWFJFHSA-N 445.373 4.809 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)cc1 2294137577 OCAKEWDUKHLKFP-UHFFFAOYSA-N 435.549 4.579 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S 2296882564 ZUUHKQXYGKTAMQ-OAHLLOKOSA-N 438.357 4.891 10 10 IJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1C 2297313910 PJNKZZAHEARXBH-UHFFFAOYSA-N 449.532 4.628 10 10 IJCE COc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])SC2=S)c(OC)c1 2314538682 FLFWXFAYIHVKKZ-UHFFFAOYSA-N 428.491 4.574 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OC)SC1=S 2314769802 VLUVFCJYKVSWAZ-LJQANCHMSA-N 427.547 4.591 10 10 IJCE COc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 2332148253 MNQBAUVASSGXLT-UHFFFAOYSA-N 425.204 4.806 10 10 IJCE CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(Br)c3)S2)cc1 33337414 JIJLJWOTVDDEPI-GZTJUZNOSA-N 433.327 4.939 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 33633610 BANTVKSBZGLEMW-VAKHEIKFSA-N 433.938 4.593 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526367615 RPNBCQSNDJAVSI-DEOSSOPVSA-N 446.503 4.620 10 10 IJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 1115966912 LLQVILBWJLDHGC-UHFFFAOYSA-N 439.943 4.684 10 10 IJCE CC(=O)N1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC12CCCCC2 1658118339 ZDJOFZNFFJXFDQ-UHFFFAOYSA-N 433.556 4.908 10 10 IJCE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNCc1cc(Br)cc(F)c1O 1660164966 QAGBNRHVAAOFJC-OAHLLOKOSA-N 431.346 4.563 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668133 HSIPWXFKDXHSFI-HZHRSRAPSA-N 446.478 4.682 10 10 IJCE CN(C)c1ccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1F 1951801155 ORXVOGQOVSBSHC-SANMLTNESA-N 448.494 4.730 10 10 IJCE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3)o2)SC1=S 2040479862 BKQPGTLVQABRKZ-MRXNPFEDSA-N 431.535 4.800 10 10 IJCE C[C@@H](NCc1ccc(Br)cc1O)c1csc(NC(=O)OC(C)(C)C)n1 2051173281 VWNPHXARYFJSDK-SNVBAGLBSA-N 428.352 4.809 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080038678 SROYGCSIKVRHCK-QGZVFWFLSA-N 449.345 4.587 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNCCc1csc(Br)c1 2128719707 PEKNHGADXQXVGX-UHFFFAOYSA-N 425.573 4.964 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2168791532 PIWQWYWDLTUGRV-MISYRCLQSA-N 428.418 4.688 10 10 IJCE Cc1cc(C)cc(OCCOc2ccc(C)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293140394 FQLBORHFUITWNL-UHFFFAOYSA-N 442.515 4.531 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccccc3OC)C2=O)cc1 2313682861 MGGJLMGLELXLJA-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE Cc1ccc(CN[C@H](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352952907 QNMMSRNCVSFACN-YCPHGPKFSA-N 427.383 4.635 10 10 IJCE Cc1ccc(CN[C@H]2CCCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380810572 WENLVKJPOQNEMF-INIZCTEOSA-N 439.394 4.732 10 10 IJCE CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(OC)cc3)ccc21 3585111 SFWSFJNWDPBBEZ-UHFFFAOYSA-N 427.614 4.703 10 10 IJCE CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1 40888202 NJVBCLPKJQSHKI-RGEXLXHISA-N 433.595 4.943 10 10 IJCE Cc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)n1-c1ccc2c(c1)OCCO2 105808398 LKPVKLNLPTWAKT-UHFFFAOYSA-N 447.535 4.646 10 10 IJCE CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 785567590 ZGSQUJWFGWMFMZ-HDICACEKSA-N 438.547 4.652 10 10 IJCE C/C(=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 1293793520 QHWBOZZPFMRUSA-XWPLZZTOSA-N 441.547 4.677 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ncccc1Br 1657293687 OSDSSYOGONOWKS-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)CCCN2C 1705879307 ULCQFRDVPGXEJL-UHFFFAOYSA-N 433.600 4.834 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c(OC)cc1Cl 1860084272 ICIALHRQVAZCSA-FRKPEAEDSA-N 436.898 4.671 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1O 1860084873 SZYHLPLTHBWUJD-XNTDXEJSSA-N 436.352 4.959 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1860760619 AEGOAMGMBLUBSV-HNNXBMFYSA-N 436.533 4.634 10 10 IJCE CN[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1999527905 UCJDWBBTRABWQT-GGAORHGYSA-N 427.589 4.513 10 10 IJCE Oc1ccc(F)cc1Cn1nc(C2CCC2)c(C2CCC2)c1I 2079835618 JGOBEYJBXRGOFZ-UHFFFAOYSA-N 426.273 4.916 10 10 IJCE CC[C@H](C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 2240066447 RDNQDHUPPNTXIQ-SFHVURJKSA-N 428.418 4.659 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 2293175814 ZMSRZQZKXJRWSK-UHFFFAOYSA-N 435.954 4.604 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OCC 2321585811 QWARLGUTWYPMKZ-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)ccc1O 2321734194 VXVSPVKHPYYGQK-UHFFFAOYSA-N 427.425 4.705 10 10 IJCE Cc1ccc(CN[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(O)c1Br 2380799158 WMRFTEFOZUZBCS-OLMNPRSZSA-N 439.394 4.587 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13639442 MNBALNTTYRYHIB-WFXMLNOXSA-N 427.342 4.652 10 10 IJCE Oc1cccc2c1[C@H](Nc1cc(I)ccc1Br)CC2 389085540 FJGKVEOOKUOMSB-GFCCVEGCSA-N 430.083 4.859 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526189155 HSYGIBDFPRMCGE-IBGZPJMESA-N 429.881 4.879 10 10 IJCE COc1cccc(CNC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)c1O 737283986 JGPMMVHRNWYSKQ-UHFFFAOYSA-N 445.302 4.630 10 10 IJCE COc1ccc(C)cc1C1(CN[C@H](C)c2cc(Br)ccc2O)CCOCC1 756455487 STGBEJKVHBJJHA-MRXNPFEDSA-N 434.374 4.871 10 10 IJCE Cc1cc(Br)c(O)c(CN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1 781914059 XPKARQHNBZXOQB-IRXDYDNUSA-N 439.394 4.873 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1 1860085998 CJUTVLUSDNQJNG-XSFVSMFZSA-N 426.563 4.710 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2099669633 LCHMSVCZNKUUPP-WBQNTZJQSA-N 425.367 4.593 10 10 IJCE CNCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(Br)c1 2166608171 CFNAREQOYKZDIW-SFTDATJTSA-N 428.418 4.802 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190562972 ZUUJLYGDMPTBIW-HLNWXESRSA-N 433.365 4.867 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 2297576873 NXHOMYSTNIQYSW-UHFFFAOYSA-N 430.507 4.722 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)c(OC)cc1Cl 2321629390 CPWWVCKHYWFVOA-UHFFFAOYSA-N 449.937 4.534 10 10 IJCE CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2361420066 FSYPRQYBHHLOQS-PBHICJAKSA-N 439.394 4.843 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2[C@@H]2C=CC[C@H]21 20748858 ONEHYVRXEXBBEG-VEBYGKHWSA-N 426.582 4.989 10 10 IJCE CCC1(CNCc2ccc(Br)cc2O)CCN(C(=O)OC(C)(C)C)CC1 691389912 DJBNHUHUWSXISB-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE NCc1cc(F)c(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715011360 UNYQYKJWQWGXLW-UWJYYQICSA-N 432.381 4.538 10 10 IJCE C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCCC2=O)cc1 726243818 KMGZKRPKLRFMCG-SFHVURJKSA-N 433.508 4.585 10 10 IJCE Cc1cc(C(=O)COC(=O)c2cc(O)nc3ccc(F)cc23)c(C)n1-c1ccc(F)cc1 738816319 ZRDKQMGKGRDATD-UHFFFAOYSA-N 436.414 4.666 10 10 IJCE CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCN(C)[C@@H]3c3cccs3)cc2)CC1 743600627 PWFCRBBZQYMBPB-URXFXBBRSA-N 440.657 4.867 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 1860087906 ZSWYECZNFRBYBG-VCHYOVAHSA-N 431.535 4.517 10 10 IJCE CCOC(=O)CN(Cc1ccccc1)/N=N/c1ccc(I)cc1C 1860486429 DBVNYZYYHLZEHP-QZQOTICOSA-N 437.281 4.664 10 10 IJCE CN(C)c1ccc([C@@H](NC(=O)c2c(Cl)ccc(Cl)c2Cl)c2nccn2C)cc1 1866010731 VLTLNSMWJYYWLX-GOSISDBHSA-N 437.758 4.966 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CCCCC2)cc1 1866167849 XDXXXCNTFVBQGW-AREMUKBSSA-N 431.580 4.628 10 10 IJCE CCc1nc(-n2cccc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179671 KJKPMTHBGZWFAU-UHFFFAOYSA-N 427.485 4.524 10 10 IJCE CC[C@H](NCC1(F)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 2154507849 OBVDTBVXLBOCAW-INIZCTEOSA-N 445.373 4.935 10 10 IJCE CC(C)(C)OC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2O)(C(F)F)CC1 2235752031 WEJAZTOBTDQRTP-UHFFFAOYSA-N 425.303 4.823 10 10 IJCE COc1ccc(Br)c(CNC[C@H]2CCCCN(Cc3ccccc3)C2)c1O 2236051065 NRHBJGVCDFQOCM-GOSISDBHSA-N 433.390 4.555 10 10 IJCE O=C(O)CCCN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S 2314433434 NCZIPQVLNGMXAC-OAQYLSRUSA-N 437.542 4.813 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S 2318684264 WWZOPOZYTQANOT-HNNXBMFYSA-N 437.464 4.603 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)c1 2321717914 JPJTXWPMHCBIBM-UHFFFAOYSA-N 442.518 4.958 10 10 IJCE Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(O)c1Cc1ccc(Cl)cc1 9597713 UYWVLMHYYQTPMZ-UHFFFAOYSA-N 441.318 4.571 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc(Cl)c2)c1O 104000016 XQTJKRKMOGKJCK-WOJGMQOQSA-N 427.291 4.999 10 10 IJCE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@@H]1C[C@H]3O 118913529 MDUASBVGFDAVFE-SIIRNWGXSA-N 447.620 4.855 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)cc2)SC1=S 206862098 IVJIGSDSXNQFKF-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CCCc1n[nH]c(=S)n1CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 248155618 DHFCELGXGCTTGI-HSZRJFAPSA-N 432.549 4.658 10 10 IJCE CC1(C)C[C@@H](NCc2ccc(Br)cc2O)CCN(C(=O)OC(C)(C)C)C1 700061325 HFTRGBYEYFILLY-INIZCTEOSA-N 427.383 4.670 10 10 IJCE COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N)sc(C)c1-c1ccc(C)c(C)c1 1865986190 ILTHMZHPSGUWKL-UHFFFAOYSA-N 439.493 4.870 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)CC2)cc1 1872884073 JSAUKUNCASRBPB-UHFFFAOYSA-N 437.490 4.548 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CN=[N+]=[N-])CC1 1984696317 XPFCGQTUYOUIKU-JOCHJYFZSA-N 447.539 4.756 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079993818 XRXCHJPYINEYCO-QGZVFWFLSA-N 439.350 4.905 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080036119 IBLRLYUPVJKZML-KRWDZBQOSA-N 449.345 4.587 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 2313560076 IQUZPIFMYKCLME-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3F)CC2)SC1=Cc1c(Cl)cccc1Cl 2314557494 JUVOIVUEHMNEGU-UHFFFAOYSA-N 436.339 4.925 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2341166930 DWXXQYDYJQDETN-GUDXXQAFSA-N 425.367 4.593 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 14474193 ZAWOZOGEWIXLGC-UMEGOILYSA-N 432.545 4.697 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 15046135 BTWDEZZESCTQIL-ZSAINHDTSA-N 432.954 4.577 10 10 IJCE COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)c1 20070986 DDQDXBMZGSZJRQ-CPJSRVTESA-N 432.476 4.660 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526150558 UDFQYTOGLJVLHP-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE Cc1cncc(/C=C\C(=O)N(C)c2cc(N(C)C(=O)/C=C/c3cncc(C)c3)ccc2C)c1 772169942 OGYPDARBIGNCEZ-WAKDDQPJSA-N 440.547 4.754 10 10 IJCE C/C(=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(Cl)c1 1630368859 XBTZGPQOLMAWIU-RVDMUPIBSA-N 438.877 4.915 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N(C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1860749352 ZYVKFTBHBBVWOY-UHFFFAOYSA-N 436.533 4.728 10 10 IJCE CCCN(CCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868001893 VGERRXIVYRABST-UHFFFAOYSA-N 446.599 4.500 10 10 IJCE CC(C)[C@H](C)[C@H](CNCc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C 1967798689 RVEICMBSVIRDST-LRDDRELGSA-N 433.362 4.569 10 10 IJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C(C)C 2079598740 HIEBXMMLYRNEEX-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080005722 ICQXIUKZWJVONL-IBGZPJMESA-N 449.345 4.803 10 10 IJCE O=C1N=C(N2CCCCCC2)SC1=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 2296701675 ZMMNBXMWPPMJDX-UHFFFAOYSA-N 435.524 4.589 10 10 IJCE CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 2297531797 NDUYBIFXQLPSKV-UHFFFAOYSA-N 448.350 4.700 10 10 IJCE CC(NCc1cccnc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313683220 UVAIIERBPIHRGI-UHFFFAOYSA-N 425.517 4.506 10 10 IJCE CCCC1=NN(CCC)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131661 QAECRBLDEGLQKY-UHFFFAOYSA-N 430.140 4.709 10 10 IJCE Cc1ccc(CN[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352678918 JJNOOOKSZMVKMQ-AWEZNQCLSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@H]2CCC3(CCC3)N(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380810728 HQFIOGNPUHUDDR-INIZCTEOSA-N 439.394 4.875 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14476181 JMHCKZSHYMVIMQ-XLNZFTOWSA-N 433.508 4.999 10 10 IJCE COc1ccccc1[C@H](NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C)c1nccn1C 25519494 UKAMNIVGEQKYLE-BOMYWPOKSA-N 440.547 4.755 10 10 IJCE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1 64963896 TWOITHHWJXHOIU-OAQYLSRUSA-N 436.947 4.705 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1Cl 107981661 WTQDNAXMBRTICO-ROUUACIJSA-N 438.877 4.615 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C/c1cccnc1 206364927 UOLSQSQTMYOBAZ-CCULFSDZSA-N 426.501 4.609 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 206447298 XPHSKBMWNLRZNL-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE CC(C)COC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 206447378 WBLXJSNDWPLZFW-UDWIEESQSA-N 441.574 4.666 10 10 IJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](n3c(C)cnc3C3CCOCC3)C2)cc1 575547992 DUIVBDHATISOQO-XMMPIXPASA-N 432.568 4.580 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 708156883 KDNSLLNHCVZQRL-KBPBESRZSA-N 433.774 4.734 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 781914634 VMLNLYIWNAQCJD-QGZVFWFLSA-N 428.273 4.638 10 10 IJCE CC(=O)c1nn(C(C)C)c(C)c1OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C 1307411264 QQPMPPUVYVIAKM-UHFFFAOYSA-N 428.920 4.693 10 10 IJCE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1 1858683864 ITOJGBZMNGSKAT-UHFFFAOYSA-N 434.496 4.590 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(F)ccc4F)cc3)CC2)cc1 1872884304 PYDCQKQKYMOCOR-UHFFFAOYSA-N 437.490 4.548 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1O 1901489037 XDPQYQGRXPLZLP-DEOSSOPVSA-N 444.531 4.668 10 10 IJCE Cc1ccc(O)c(Cn2nc(C(=O)OC(C)(C)C)c(Br)c2C(F)(F)F)c1 2079177754 SMQKZWTUQZWITK-UHFFFAOYSA-N 435.240 4.682 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1 2154522773 SVBCNSQTCDNHOP-LJQANCHMSA-N 433.365 4.971 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(NCc2cc(Br)cc(F)c2O)CCC1 2269137687 ACTIQAZSTNVJDE-UHFFFAOYSA-N 431.346 4.563 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3cccc4ccccc34)C2=O)cc1 2293115912 LYJKZUWOFHXKTP-UHFFFAOYSA-N 449.510 4.918 10 10 IJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)cc2)SC1=S 2314770098 ZEAZMHQMBGTGEJ-LJQANCHMSA-N 427.547 4.589 10 10 IJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N12 4761578 PWBWEIIUOSMXDT-ATKCCKKESA-N 427.530 4.563 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(F)c(Cl)c1 33400754 UOYDIHSWRIBCSE-CXUHLZMHSA-N 438.908 4.848 10 10 IJCE COc1cccc2c1OCC(/C=C1/SC(N3CCC(Cc4ccccc4)CC3)=NC1=O)=C2 33515950 KVGIEXSZDDDLLZ-XQNSMLJCSA-N 446.572 4.939 10 10 IJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 39850175 NEKMRCZLSUQMMU-MOSHPQCFSA-N 449.557 4.532 10 10 IJCE CCc1csc(-c2csc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)c2)n1 65116833 MITPPUMUNVIPRB-UHFFFAOYSA-N 447.651 4.903 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226659522 MXPJUCMCPQXBRX-ZFGGDYGUSA-N 425.598 4.610 10 10 IJCE CN(C)c1ccc(CN2CCC[C@@H](COc3ccccc3C(=O)N3CCCCC3)C2)cc1 581775852 XQCKENJFINKLFU-HSZRJFAPSA-N 435.612 4.670 10 10 IJCE CC[C@@]1(CNCc2ccc(Br)cc2O)CCCCN1C(=O)OC(C)(C)C 691389987 FTLCQNWDNPJGIH-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1ccc(Br)cc1O 691392125 ODKFEPMMRHHEFQ-XOBRGWDASA-N 427.383 4.718 10 10 IJCE Cc1ccnc(C2CCN(Cc3c(O)ccc4c(=O)c(-c5ccccc5)c(C)oc34)CC2)n1 758244474 DIANNJMDKQNWSR-UHFFFAOYSA-N 441.531 4.952 10 10 IJCE C[C@H](NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(N2CCOCC2)cc1Cl 766165808 YMVXKPKKUZBONG-IXFSTUDKSA-N 434.049 4.972 10 10 IJCE C/C(=C/c1ccccc1)CN(C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1642708722 WZOSAMVREPTWDL-WHPBDHBRSA-N 438.527 4.824 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc(CNC3CCC3)c(Br)c2)C1 2240044945 RBODAJQFAIFLOZ-QFIPXVFZSA-N 428.418 4.802 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314533570 RXNKTPSQNRELLL-UHFFFAOYSA-N 433.352 4.813 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)c1 2321683364 MBNXZLAHZSHYQM-UHFFFAOYSA-N 449.937 4.550 10 10 IJCE COc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1O 2332099619 MHKMKRRPDSYKLD-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 1166079 JTVGOFVPVXKEFJ-KEBDBYFISA-N 449.894 4.569 10 10 IJCE C/C(=C1/SC(N(C)c2ccccc2C(=O)O)=NC1=O)c1ccc(Br)cc1 39870047 ZDVMLOPRLVNMGQ-WJDWOHSUSA-N 431.311 4.644 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 226882245 ISBMEVDIAPNSRZ-YDIMBITNSA-N 442.581 4.561 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526247469 ZPTARWKEDSNWTQ-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CCCCS(=O)(=O)N(Cc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189663 OIALQLVAVUOBOR-UHFFFAOYSA-N 433.529 4.599 10 10 IJCE Cc1c(OCCOc2ccc(C(C)C)cc2)c(=O)ccn1CCCOc1ccc(N)cc1 1857919207 ABQSGRFFUCMQHI-UHFFFAOYSA-N 436.552 4.789 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CC(CNCc3cc(Cl)cc(Br)c3O)C2)C1 2121061154 HXRIFPQAHDNTAF-UHFFFAOYSA-N 445.785 4.545 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 2127899416 RRNDIEHWKACLBO-SWLSCSKDSA-N 447.801 4.837 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260781 GSRIGMRQRMXRMC-GWJPWWOOSA-N 428.418 4.960 10 10 IJCE CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2)c1cc(Br)ccc1O 2279110895 HJCDRHPVDDXDRE-SJLPKXTDSA-N 439.394 4.985 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1 2293662213 LDYIOSSLTAHBIG-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 2297470033 JXVUSFZLMAAIDJ-UHFFFAOYSA-N 443.985 4.996 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1 2321740273 XZLMFQGJTWNYGM-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2ccccc2)cc1 17095410 XOPBLBBEGIKHIM-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE COc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1 33320633 RTQNHRCVLSVTMW-UHFFFAOYSA-N 432.911 4.971 10 10 IJCE CC(C)Oc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 33785861 QONSVUHTITYFFM-QNGOZBTKSA-N 441.984 4.920 10 10 IJCE CN(C)c1ccc(CNC(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 40355849 FFHASEMASXNSNO-UHFFFAOYSA-N 449.363 4.698 10 10 IJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1 65023764 SRTHIBLJORAMHX-HSZRJFAPSA-N 443.595 4.523 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)c1OC 526253545 WOUXBQRHVDAXFC-HSZRJFAPSA-N 447.487 4.789 10 10 IJCE O=[N+]([O-])c1cccc([C@H](NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc2)c1 779022792 GUNNAEJHMHIADI-AREMUKBSSA-N 431.536 4.683 10 10 IJCE CC(=O)CCc1ccc2oc(C(=O)NCc3cc(Br)ccc3O)c(C)c2c1 804734717 XDFRWRQKTYOSOD-UHFFFAOYSA-N 430.298 4.661 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1O 1655926284 RCIZSNJLIIBQLM-SBUREZEXSA-N 436.980 4.765 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CCc1cccc(OC)c1 1857996955 RGMHVYNDAPNCNS-UHFFFAOYSA-N 437.471 4.889 10 10 IJCE CCOc1ccc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)cc1OC 1859440999 XIRNKWKCDNXMCA-UHFFFAOYSA-N 430.508 4.956 10 10 IJCE COC(=O)c1c(NC(=O)c2cnc(SC)nc2O)sc(C)c1-c1ccc(C)c(C)c1 1866083176 PIGJPDIOEWNOLW-UHFFFAOYSA-N 443.550 4.597 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(C(C)C)C2=O)cc1 1873424543 RGIBZSNBDDKZGK-UHFFFAOYSA-N 435.474 4.973 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc(F)cc1O 1952828872 GBFGVNHQBKVBFJ-ZJSXRUAMSA-N 447.462 4.928 10 10 IJCE CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2090351207 WJNFPWPMMFOOAB-GXTWGEPZSA-N 441.288 4.651 10 10 IJCE CN1CCC(N(Cc2ccccc2)c2ccc(CNC3CC3)c(Br)c2)CC1 2152213562 RIYWNKMMRMPMKT-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CC(=O)O)c(Br)c1 2153254992 LWUIUDKYKGWXBJ-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE CN[C@@H](C)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163333402 HEJDPPLVACRWTF-MBSDFSHPSA-N 428.418 4.832 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2210542389 XIQBFTZSHYTNAU-RJGXRXQPSA-N 447.539 4.897 10 10 IJCE Brc1cc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)ccc1CNC1CCC1 2239981341 LEUZBFOSJHMQSC-YADHBBJMSA-N 426.402 4.554 10 10 IJCE OC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1 2240044738 VJEKNHPXDLCXAP-QHCPKHFHSA-N 429.402 4.869 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(Br)cc1 2297449887 DHANWACYGBCXNM-UHFFFAOYSA-N 447.379 4.679 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114788 QLBDRDDJBSASTI-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134915 YOVQGKYOPGTHKA-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE Cc1ccc(CNC2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Br 2381138695 PSVUFIPSLBZLRX-UHFFFAOYSA-N 439.394 4.732 10 10 IJCE O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1cccc2ccccc12 8859979 HYZADLMPLQVWJU-UHFFFAOYSA-N 448.529 4.769 10 10 IJCE Cc1cccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)c1 34680510 XCYACCWBGJMVEP-UHFFFAOYSA-N 436.577 4.561 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858593913 DDPWAMJUUQMKKH-DOAWATSRSA-N 426.607 4.762 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)CCCOc2ccc(Cl)cc2)N2CCCCC2)cc1 1868036611 LMLYSSITRRGVHM-DEOSSOPVSA-N 444.019 4.908 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079875845 ACWULXAKPLBUHO-CQSZACIVSA-N 447.276 4.720 10 10 IJCE Cc1ccc(CN=c2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)cs2)c(O)c1Br 2352682065 XYGYVIWXYJLDJB-LLVKDONJSA-N 442.379 4.539 10 10 IJCE CCCCN1C(=O)/C(=C2/SC(=S)N(CCC)C2=O)c2cc(Br)ccc21 2508984 NUQCTHKIJFPVBE-CCEZHUSRSA-N 439.400 4.577 10 10 IJCE COc1ccccc1CCN[C@@H]1CC(=O)N(c2ccc(/N=N\c3ccccc3)cc2)C1=O 100712976 UHCPVOKANKFBAQ-MWHYSOGASA-N 428.492 4.575 10 10 IJCE CN(C)c1ccc(CN(C(=O)c2cc(O)nc3ccc(Br)cc23)C2CC2)cc1 737494330 ZZIANZPRAGDGHC-UHFFFAOYSA-N 440.341 4.574 10 10 IJCE COc1ccc(F)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 755603383 QCCSTKQKXHWPHG-WJDWOHSUSA-N 436.555 4.516 10 10 IJCE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 1084356116 FBVBYSAOTCWALC-RGEXLXHISA-N 433.895 4.756 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1858121142 XBUNFVFBNSXKBL-NRFANRHFSA-N 431.374 4.546 10 10 IJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1858684560 NOUPMASNQDWWIZ-UHFFFAOYSA-N 447.278 4.599 10 10 IJCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(OC)c(OC)c4)C3=O)c2c1 1860085565 RTMCVAPDWILVGM-UFWORHAWSA-N 426.519 4.600 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cc(Cl)cc(Cl)c1 1860721563 PPPIUDOTGRQGGT-UHFFFAOYSA-N 438.536 4.843 10 10 IJCE O=C1/C(=C\c2ccc(O)cc2O)C(c2ccccc2)=NN1c1ccc(Br)cc1 1865654370 SGNDQABCJQYEMK-UNOMPAQXSA-N 435.277 4.695 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccccc2O)cc1 1865679019 PMUVPKGKFDAHGS-XSFVSMFZSA-N 449.304 4.998 10 10 IJCE C[C@H](CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)C(=O)OCc1ccccc1 2044375346 KWQIHFQOKRQMPD-LJQANCHMSA-N 438.568 4.843 10 10 IJCE CC[C@H](NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159268467 YTZQIOOIGFDDLM-ZBFHGGJFSA-N 443.382 4.567 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cc(Br)cc(F)c2O)CCC12CCC2 2233915132 YZULDZNQPXBJFX-OAHLLOKOSA-N 443.357 4.706 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)N(C)C)cc1 2323880001 FNRBZZOYAITBBO-FQEVSTJZSA-N 437.590 4.681 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNCc1ccc(Br)cc1O 2358979387 MSWXBPHARZNKAA-QGTPRVQTSA-N 439.394 4.813 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380811070 YVWITLNQCSNGKJ-IERDGZPVSA-N 439.394 4.732 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 15037772 SIZDDKZVWRTIER-WJDWOHSUSA-N 436.480 4.935 10 10 IJCE CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21 33527486 NRYSURFCIWNEEA-FCDQGJHFSA-N 435.527 4.936 10 10 IJCE C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Br)c1 71931121 ISKWZYGUXNDODS-OAHLLOKOSA-N 434.403 4.563 10 10 IJCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1C=O 2079137492 NOPZBUDYVDJELJ-MRXNPFEDSA-N 426.298 4.512 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(N)c2I)cc1C 2079972500 VTYVZZZPHXIZGF-KRWDZBQOSA-N 425.314 4.515 10 10 IJCE CC[C@@H](C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 2240043985 NOYSSXXYTKAAHJ-UIFIKXQLSA-N 428.418 4.800 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 2294204959 YHCIYZSIMIQKNP-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE CCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S1 2297344272 WQISOYDPIAJEKI-UHFFFAOYSA-N 437.481 4.973 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1 2297349902 WAXDLRFQFMPUTA-UHFFFAOYSA-N 439.287 4.902 10 10 IJCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 2313504841 KRQOYUAEEVECHN-UHFFFAOYSA-N 448.822 4.991 10 10 IJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1OCC 2323770351 QDESNFAWCBVGHG-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1OCC 2323829838 ZNROLFKPMNZMDQ-FZKQIMNGSA-N 437.583 4.575 10 10 IJCE O=C1N=C(O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(O)cc1 1175548 ZERXGCGSBBSMIM-BKUYFWCQSA-N 432.407 4.617 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14471218 RHKMAENALHRCBX-QYWGDWMGSA-N 441.915 4.841 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)c(OC)c1 20071020 ZFCBJIGQOCQXBZ-CJFMBICVSA-N 432.476 4.660 10 10 IJCE Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1 98080362 SJSOZNSHTZXDDG-UHFFFAOYSA-N 445.592 4.919 10 10 IJCE O=C1NC(=S)S/C1=C/c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 102470910 ZIJZITMYEFICMH-RVDMUPIBSA-N 426.592 4.994 10 10 IJCE CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(N)=S)[C@@H]3c2ccc(N(C)C)cc2)cc1 103044049 MVHSLZMRKZFDTM-YHHGBAAFSA-N 433.625 4.659 10 10 IJCE COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1Br 103365604 SVNBGXYIAQXEDV-NTUHNPAUSA-N 449.688 4.615 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526143660 IGELGTHKOXGIFZ-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526189158 HSYGIBDFPRMCGE-LJQANCHMSA-N 429.881 4.879 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CNCc2cc(Cl)cc(Br)c2O)CC1 708074105 YZJXTLHGNBMWBK-UHFFFAOYSA-N 433.774 4.545 10 10 IJCE COc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC 730390310 VIYPQEXKBNEPPB-KRWDZBQOSA-N 446.507 4.805 10 10 IJCE COc1ccc(F)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 755603381 QCCSTKQKXHWPHG-LFIBNONCSA-N 436.555 4.516 10 10 IJCE C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N(C)C)cc1 776239823 WLBRDJHXPDDCCF-APWZRJJASA-N 437.519 4.592 10 10 IJCE CCC[C@@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1866017232 IAULCICQFCASOU-CQSZACIVSA-N 439.375 4.729 10 10 IJCE CCNCc1ccc(N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(Br)c1 1921449689 LKASSMCSLCGPFK-MOPGFXCFSA-N 430.434 4.905 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2037292414 JDWWBBHGMZHUGA-NEPJUHHUSA-N 433.774 4.543 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2c(O)cccc2Br)C1 2100267605 XSMLWZPFBMJAJM-GJZGRUSLSA-N 427.383 4.718 10 10 IJCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 2107377430 ISSMAYKAHQUBJF-BLLLJJGKSA-N 447.801 4.933 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@@H](CNCc1c(O)cccc1Br)c1ccccc1 2175011281 VVCFULTVLQUPRG-SFHVURJKSA-N 435.362 4.853 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1OC 2296376789 DAHMVJKOXMAGRO-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 2297322370 AUSITNIKNSDZLJ-UHFFFAOYSA-N 448.375 4.671 10 10 IJCE COc1ccc(C=C2SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 2297467823 OSPDRSJTQQXORS-UHFFFAOYSA-N 447.482 4.507 10 10 IJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cccs1 2313548178 OBOYRVOAEHQQDY-UHFFFAOYSA-N 432.545 4.882 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)C[C@@H]2CCC[C@@H]21 2360209342 BJSHQSVNVYLTQE-NUTKFTJISA-N 443.357 4.562 10 10 IJCE O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 3070932 KKZIPENLHVDFBD-RUZDIDTESA-N 428.444 4.738 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 3627572 NUVNVFJFPNFBMF-PGMHBOJBSA-N 426.607 4.985 10 10 IJCE COC(=O)C1=CN(c2ccc(C(C)C)cc2)c2cc(Br)ccc2S1(=O)=O 64979266 ASDKMDFIDFXHCG-UHFFFAOYSA-N 436.327 4.512 10 10 IJCE CC(=O)Nc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526509273 BBPHLRXNWNPGEQ-XMMPIXPASA-N 444.487 4.730 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc21 790832028 AIDQYHRSWAEDJS-UHFFFAOYSA-N 440.333 4.641 10 10 IJCE Cc1nc(Br)sc1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2063241168 BVDKEJLUZGAUEL-UHFFFAOYSA-N 426.380 4.875 10 10 IJCE CCSC1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N12 2297333774 PWBWEIIUOSMXDT-UHFFFAOYSA-N 427.530 4.563 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297560708 ZJHWCNKRAVBTHO-UHFFFAOYSA-N 443.297 4.504 10 10 IJCE Cc1ccc(COc2ccccc2C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 2313559339 WSNLRKOLNPCSSM-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1Cl 1163635 JXQMVJNXFCHEIT-WUXMJOGZSA-N 435.661 4.623 10 10 IJCE COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3O)CC2)c1 34683419 VPISWAWPHAYFBB-UHFFFAOYSA-N 434.511 4.851 10 10 IJCE CC(C)CNCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 312405004 IDAREUBCWAABAM-RTWAWAEBSA-N 428.418 4.658 10 10 IJCE COc1cc(N(C)Cc2nc(O)c3cc(-c4ccccc4)sc3n2)cc(OC)c1OC 741794875 DDVCZGCMCFMFQZ-UHFFFAOYSA-N 437.521 4.726 10 10 IJCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(O)nc2c(Br)cccc12 1440713454 IMFHHMAXYZBDKH-UHFFFAOYSA-N 440.341 4.575 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 1860759582 XPDQFIFMHREYHD-UHFFFAOYSA-N 448.972 4.941 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1OC 1865668979 ABUIJNDXPLSBJS-CJLVFECKSA-N 428.488 4.937 10 10 IJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)sc(C)c1-c1ccc(C)c(C)c1 1865923145 PRWWNJJJQSSLDF-KRWDZBQOSA-N 442.581 4.712 10 10 IJCE Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871287868 YAHADGAUWGGZBP-UDWIEESQSA-N 440.590 4.870 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(N)c2I)cc1C 2079848938 PKSLSACDESRDPO-CQSZACIVSA-N 435.256 4.575 10 10 IJCE CC[C@@H]1CC[C@@H](NCc2cc(Br)cc(F)c2O)CN1C(=O)OC(C)(C)C 2102264421 IYENJEKYXCCLNG-HUUCEWRRSA-N 431.346 4.562 10 10 IJCE CCCCCCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2295927467 RGMBUQXOBQSIDR-UHFFFAOYSA-N 429.520 4.732 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 2297470408 REAOAOGGXAAPOW-UHFFFAOYSA-N 429.908 4.916 10 10 IJCE Cc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 2314837699 VVAHMXVDGKLUCI-UHFFFAOYSA-N 431.608 4.852 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1OCC 2323812920 DQQYRHONQVQAJK-OAHLLOKOSA-N 437.583 4.575 10 10 IJCE CC(C)CCOC(=O)CCOc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331592394 FIDSNHGUEFKIHI-UHFFFAOYSA-N 435.611 4.902 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]2CC=C[C@H]32)CC1 14476003 IOEGDKLRBYRHNF-YIGJPRQDSA-N 433.508 4.999 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)cc1 15785157 ZXQVRRFJLRNADZ-UHFFFAOYSA-N 431.467 4.605 10 10 IJCE CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 21874213 DETRYCPTCCYBLD-SFHVURJKSA-N 433.508 4.545 10 10 IJCE CCOc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3ccccc3O)C2)cc1 53363486 MEVLCJFKESGBDB-NOZRDPDXSA-N 430.504 4.800 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C\c1cccnc1 54201435 UOLSQSQTMYOBAZ-ZWAQGKOVSA-N 426.501 4.609 10 10 IJCE O=C(Nc1ccc(Br)cc1F)c1ccc(C(=O)C(=O)c2ccccc2)cc1 64984830 BKHAJVQRGVTWQJ-UHFFFAOYSA-N 426.241 4.906 10 10 IJCE O=C(c1ccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1)N1CCCCC1 95694373 RDXHMUSCWAXAOY-HMMYKYKNSA-N 437.590 4.584 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 708090155 OHPMWLRVAWADTI-CABCVRRESA-N 445.785 4.734 10 10 IJCE CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C2CC2)cc1 745850055 WENVRZBOJMTISD-XXBNENTESA-N 426.630 4.571 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 773852168 XPHSDMMDYYSSIN-IBGZPJMESA-N 430.434 4.935 10 10 IJCE COc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(F)F)c3)n2)cc1OC 780704273 LJRCGDOZUIAHGS-UHFFFAOYSA-N 426.466 4.566 10 10 IJCE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 791884254 KSDZZUBKYZMAKI-MQABWJKWSA-N 448.557 4.529 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)c1 1860085452 MBNXZLAHZSHYQM-LICLKQGHSA-N 449.937 4.550 10 10 IJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3[nH]2)cc1 1872740134 WOEBHVVAQFQFKW-UHFFFAOYSA-N 442.519 4.735 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)CC2)cc1 1872882384 IMMWRQIOEQKMTJ-UHFFFAOYSA-N 429.564 4.887 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951593332 TWSZJTNDCCCMJQ-QFIPXVFZSA-N 447.487 4.933 10 10 IJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044750202 MEJAJOSRBMLPJB-RPWUZVMVSA-N 441.616 4.903 10 10 IJCE CC(C)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2079060020 CHPAFCJMPVMKGF-UHFFFAOYSA-N 428.167 4.523 10 10 IJCE CCC[C@@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2157595840 VSOYIEPZPPNDHM-HXUWFJFHSA-N 445.373 4.953 10 10 IJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 2296397856 BUMBYJCOZZWGBZ-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323812506 VRIAOKLCCQEWAM-SFHVURJKSA-N 427.547 4.720 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 14471222 RHKMAENALHRCBX-MRUHUIDDSA-N 441.915 4.841 10 10 IJCE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@H]2C=CC[C@H]21 14545452 UTPKHGMCQAUDBV-IXFSTUDKSA-N 426.582 4.989 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226696395 BAQMRKDOPOOFSK-SXGZJXTBSA-N 433.335 4.902 10 10 IJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/C(=O)O)c(Br)c1 383349768 WAYYARMXINWLDE-XSFOEPMVSA-N 429.358 4.505 10 10 IJCE CN(C)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526365790 FBIXGYDXTZJWSE-QFIPXVFZSA-N 436.895 4.874 10 10 IJCE C/C(=C\C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 1583379216 OPSZMVPDEQWSDT-GXDHUFHOSA-N 440.412 4.540 10 10 IJCE Brc1ccccc1C[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 1654569934 NMGBHBMOVZGLEC-JOCHJYFZSA-N 429.402 4.883 10 10 IJCE Cc1cccc2c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3c(nc12)CCOC3 1859616368 CRBHQOGQUMWPCP-UHFFFAOYSA-N 448.478 4.644 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H](C)C2)n1 1859832838 OUZFYYFDBNNYMN-MRXNPFEDSA-N 426.520 4.794 10 10 IJCE CCc1ccc(OCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1859889250 ZMJUOJJIVHHGRC-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE CC(C)c1ccc(O[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865934533 IDTKRTGYCLNXNA-HFZDXXHNSA-N 437.628 4.987 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079024078 ZHDQOBMETUEYKO-QGZVFWFLSA-N 433.346 4.887 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079060048 CSHUQQOZCPTFSO-OAHLLOKOSA-N 446.235 4.641 10 10 IJCE CC[C@H](NCCCC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2114841119 HJJOBYSMEJEVLR-KRWDZBQOSA-N 427.383 4.843 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 2293332581 AGLWROWBFRLQNE-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Cl)cc1 2313577379 KJQQOGOKKPAJPK-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(Br)cc1 1235918 DHANWACYGBCXNM-FOWTUZBSSA-N 447.379 4.679 10 10 IJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644884 SHIVJBOUCJGQNX-NDLPUDAZSA-N 425.598 4.656 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)Nc1ccc(F)cc1 39793867 MXRRLCYFQOGXPD-UNOMPAQXSA-N 438.505 4.926 10 10 IJCE CC[C@H](C)Oc1c(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cccc1OC 96477398 RGJFBILKNTWCKY-MFVBVHDHSA-N 428.485 4.683 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCc2ccccc2OC)cc1 205960537 BWXXECDSNYXJAB-JJIBRWJFSA-N 445.494 4.658 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccccc2OC(F)F)cc1 206426972 GEVFDQXPTNSEQS-SZRHCGQDSA-N 430.495 4.575 10 10 IJCE CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1F 743599985 YALFOKJRLXCXQG-GCJKJVERSA-N 432.609 4.616 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(Br)c1O 761012008 QRPAOCIXOAMSHL-ZROIWOOFSA-N 436.352 4.565 10 10 IJCE CCc1nc([C@@H]2CCCCN2Cc2cc(Br)cc(Br)c2O)no1 775659208 GCMZNKLAUFZESV-ZDUSSCGKSA-N 445.155 4.590 10 10 IJCE C[C@H]1CN(c2ccc(CN[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2F)C[C@@H](C)O1 779440245 ZZHPKKZVRMMOGQ-IFMRQQRSSA-N 437.603 4.725 10 10 IJCE CCCCN(Cc1ccccc1O)C(=O)c1cc(O)nc2ccc(Br)cc12 801546811 ZJDAXPSMSOVOMD-UHFFFAOYSA-N 429.314 4.851 10 10 IJCE CC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)c1 1468373789 PUEYEZGWQHHHBB-UHFFFAOYSA-N 425.326 4.989 10 10 IJCE CC[C@H](C)N(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2c1C(=O)c1ccccc1C2=O 1859910894 OGTISKMJKHGLKU-INIZCTEOSA-N 442.471 4.744 10 10 IJCE CC(C)Oc1ccccc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860714918 CJSWTBWZUKCXEN-UHFFFAOYSA-N 441.753 4.714 10 10 IJCE CC[C@H](N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2036152144 VXRPCCUCCSFRHO-QUCCMNQESA-N 447.373 4.997 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)CC(F)(F)C1 2127795971 MVAOECMHSYADEO-MRXNPFEDSA-N 445.735 4.808 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2201993025 PHOYEDPVYKSRAD-FIFHEGHSSA-N 439.394 4.887 10 10 IJCE CCOc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296756242 RFYKZCVNMZOIFG-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE O=C(O)COc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2297303222 XJFRAEDSGSGUPC-UHFFFAOYSA-N 439.436 4.575 10 10 IJCE O=C(NN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)c1ccncc1 2297460512 VVDWGTYOIOWHRA-UHFFFAOYSA-N 441.537 4.934 10 10 IJCE CC[C@@H]1CC[C@H](NCc2ccc(C)c(Br)c2O)CN1C(=O)OC(C)(C)C 2352945049 PZJBVJQGBCOQLG-JKSUJKDBSA-N 427.383 4.731 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc(F)cc1 15044153 XEHKJJIRDDWZMW-RGEXLXHISA-N 444.553 4.932 10 10 IJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)ccc1O 20071152 VQGQNQAGLUBZIK-KBMIEXCESA-N 432.476 4.666 10 10 IJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCC)C1=O 33470522 HZZDDNYDLYFABR-BMRADRMJSA-N 444.626 4.688 10 10 IJCE Cc1cc(C)cc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2)c1 34781781 RPARFCRMOZRTKU-FFQHCQMLSA-N 433.533 4.928 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 210718231 IQBWKWQJOMNMPV-XMHGGMMESA-N 426.563 4.624 10 10 IJCE O[C@H](CNc1ccccc1OCc1ccccc1)COc1ccc(Br)cc1 312510286 AOJVWLQPVYKMFY-LJQANCHMSA-N 428.326 4.880 10 10 IJCE CCCN[C@@H](C)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 706700938 PWIONMSLAZMGSM-SFHVURJKSA-N 428.418 4.832 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cc[nH]n2)sc(C)c1-c1ccc(Br)cc1 1866196346 BAQIKHGRRFJJAP-UHFFFAOYSA-N 434.315 4.638 10 10 IJCE CCOCCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165351 JIPJAHKPJSXBPZ-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1c(O)cccc1Br 2127859214 FONXGZQHBOPUBF-QGZVFWFLSA-N 427.383 4.670 10 10 IJCE COc1c(Br)cc(Br)cc1CNCc1cnc(SC)s1 2284688590 LGZQQHMUCCWUCP-UHFFFAOYSA-N 438.210 4.688 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)SC1=S 6178533 YNLTZYSQXMGTIE-NTUHNPAUSA-N 440.443 4.716 10 10 IJCE CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 8891497 FITCNGYDDBMFMC-AREMUKBSSA-N 447.510 4.582 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1 13635198 GJYHKPBEFFQCKK-RQTOMXEWSA-N 438.593 4.942 10 10 IJCE COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)c1 20071128 WONHHMLATAJLGC-QFQXNSOFSA-N 446.503 4.969 10 10 IJCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)C(=O)N=C2SC=CN12 33308954 MDYXJLMFOJRJOK-LZCXGNASSA-N 444.299 4.989 10 10 IJCE Cc1cc(O)c([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687752830 UITYFXRFDNDPEJ-AREMUKBSSA-N 447.487 4.635 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 708074098 YTOFMFVFKPFAEH-CQSZACIVSA-N 433.774 4.687 10 10 IJCE CC(C)N(C(=O)COc1ccccc1Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859891620 HYDMQDNYZUZHRJ-UHFFFAOYSA-N 433.891 4.936 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CNCc1cc(Cl)cc(Br)c1O)c1ccco1 2116245081 DILNQHIGYWKPDD-CQSZACIVSA-N 445.741 4.757 10 10 IJCE CC[C@@H](NC[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2152866174 SGVOJURDOKXFIK-DOTOQJQBSA-N 439.394 4.985 10 10 IJCE Cc1cc(Br)c(C(=O)NCc2ccccc2O)cc1NC(=O)OC(C)(C)C 2180668215 QHHJTMHEXOEJJE-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE Cc1ccc(CN2C(=O)C(=Cc3ccc(OCC(=O)O)c(Cl)c3)SC2=S)cc1 2297534634 FAMPHUZXZCVGDZ-UHFFFAOYSA-N 433.938 4.513 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCc2ccco2)cc1 2313682995 PGIKFJWAHIGCEZ-UHFFFAOYSA-N 444.516 4.713 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314933389 AZTPGAIUXIEBFT-AWEZNQCLSA-N 443.546 4.651 10 10 IJCE Cc1cccc(OC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1 1471698 ZJGVFRCZEVGMDT-UHFFFAOYSA-N 429.545 4.964 10 10 IJCE CN1CCN(c2cc(Nc3ccc(F)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741838 ZJCPKIQDVOYFOL-UHFFFAOYSA-N 428.467 4.674 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2)N1CCc2ccccc21 14473996 SXYAVMGTKJWCAB-BVFVYWQFSA-N 444.556 4.970 10 10 IJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCc2nc3ccccc3s2)cc1 69437086 MDSFNGKYRMMVSL-OAQYLSRUSA-N 437.609 4.893 10 10 IJCE CCN(CC)c1ccc(-n2c(C)cc(C=c3sc4nc5ccccc5n4c3=O)c2C)cc1 254761559 DDXUDIIFUIRZQD-UHFFFAOYSA-N 442.588 4.711 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cc(Cl)ccc1Cl 1474689648 YQKNMXADGFUWIS-UHFFFAOYSA-N 438.536 4.843 10 10 IJCE CCOc1ccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1872849409 ZAMGNIREEASEJK-UHFFFAOYSA-N 446.547 4.635 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873164449 CAMHMJOXBSXREW-UHFFFAOYSA-N 441.575 4.991 10 10 IJCE O=C(N[C@]1(c2cc(Cl)ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952774428 HGRKNWARWOYAPE-OFVILXPXSA-N 449.890 4.884 10 10 IJCE C[C@H](NCc1cc(Br)ccc1O)c1csc(NC(=O)OC(C)(C)C)n1 2051182375 RKBHVTVLMLXZKW-JTQLQIEISA-N 428.352 4.809 10 10 IJCE Cc1ccc([C@@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079064428 ZKKMKLJXKJDTNG-CQSZACIVSA-N 446.235 4.641 10 10 IJCE CC[C@@H](NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104676087 KQIAEEFBLSQYHR-OXQOHEQNSA-N 427.383 4.843 10 10 IJCE CC1CCC(CNCc2ccc(Br)cc2O)(NC(=O)OC(C)(C)C)CC1 2136814650 IARYXWCGPXYDJV-UHFFFAOYSA-N 427.383 4.718 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCc1ccc([N+](=O)[O-])cc1 12469765 NYSOXCBFONKQLW-JCMHNJIXSA-N 443.459 4.989 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641840 GUNDFKAFJXMUNN-JXQFQVJHSA-N 434.536 4.775 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C)cc2)C1=O 15039350 YDXSSSVALJFVEA-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(NCc2cc(Br)cc(F)c2O)cc1 715812076 IJZHHHPINWLNRL-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCCCC3)cc1)O[C@H](C)C2 730536521 FTRVMCFSUITYOR-OUOWLKGYSA-N 434.580 4.819 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c1O 1659335229 YLJZCXDUFDGBRD-IBGZPJMESA-N 428.504 4.580 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OCC 1860087206 HOMVLURQXYMDGA-DEDYPNTBSA-N 442.562 4.848 10 10 IJCE Cc1ccc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1Br 1868180378 DBUAGVXSCCJNMH-UHFFFAOYSA-N 434.289 4.714 10 10 IJCE O=C(CCc1nc2ccc(Cl)cc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179799 QBEVSGVDEJPDPE-UHFFFAOYSA-N 429.863 4.563 10 10 IJCE O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 2040444541 LOOXVEGUADEFGW-UHFFFAOYSA-N 442.363 4.791 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2c(O)cccc2Br)C1 2100267604 XSMLWZPFBMJAJM-CABCVRRESA-N 427.383 4.718 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c(Br)c1 2190538898 BFRSKLJNUGQBMV-XFGYDDDFSA-N 429.402 4.989 10 10 IJCE COc1ccc(Br)c(CNc2cc(C)ccc2I)c1O 2240657264 KVBGVWZTPFZVIW-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccccc2C)SC1=S 2293104007 HRNUQUPMMNMUIR-UHFFFAOYSA-N 444.534 4.582 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc(OCC)c3O)SC2=S)c1 2321717920 MSQFQQFIKMZUHP-UHFFFAOYSA-N 443.546 4.764 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114704 HSIPWXFKDXHSFI-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE Cc1ccc(CNC[C@@]23CC[C@H]2CCCN3Cc2ccccc2)c(O)c1Br 2380799479 ZHGILORDLWMMBK-OFNKIYASSA-N 429.402 4.998 10 10 IJCE Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(O)c1Br 2381128379 TUERDLSHEQPPLQ-FQEVSTJZSA-N 429.402 4.998 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccccc2)SC1=S 15046396 SBENRAHFQPQPLM-IEMQHYRPSA-N 436.480 4.934 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526399468 ZOJVIMJIHVNGSS-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE CC[C@@H](C)NC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586704569 OJOLXGCRPJZYMM-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(CCc4ccc(O)cc4)C3=O)n12 1858588105 QKCCCEQDFLHCTH-RIYZIHGNSA-N 435.983 4.507 10 10 IJCE COc1ccc(Cn2nc(C3CCC3)c(C(C)C)c2I)c(O)c1 2079745543 BFCMYWBTFYENGV-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE CC[C@H](NC[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2094156411 PKVLAFIHIXBRCT-JQFCIGGWSA-N 427.383 4.841 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2NCc2c(O)cccc2Br)C1 2156250501 IDHGYDXAKQEEFN-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2161555450 LVOMVXSLVBBBEI-LTCOOKNTSA-N 439.394 4.841 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(O)c1 2297559867 PVPUHJADUOWRBY-UHFFFAOYSA-N 428.579 4.648 10 10 IJCE O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)C(O)=NC(=S)N1c1ccc(F)cc1 1277911 TZDAZGUPEPQWDZ-VIZOYTHASA-N 444.285 4.741 10 10 IJCE CC[C@@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Br)cc2)C1=O 11636726 YFVMBPVOFUGSLX-AWEZNQCLSA-N 429.405 4.587 10 10 IJCE Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(C)c1Cl 38642790 DGHMFGCQLLKOGR-KNQAVFIVSA-N 445.003 4.998 10 10 IJCE Cc1ccccc1OCCCn1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c2ccccc21 59182220 ZETSIFGFPFVFEA-XMHGGMMESA-N 433.533 4.516 10 10 IJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4C)C(=S)N=C3O)o2)cc1 96484207 VVYCUZQBXBBDRN-AQTBWJFISA-N 446.484 4.713 10 10 IJCE COCCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S 208282656 SLOMSXXCOBOXFO-XMHGGMMESA-N 441.622 4.627 10 10 IJCE CC[C@@H](N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311310967 WMHXAIIAEDZFPL-NVXWUHKLSA-N 427.383 4.985 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 708099493 PXMMIDIQOWMRQT-OLZOCXBDSA-N 447.801 4.933 10 10 IJCE NCc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715010517 SFTACPWWNIGVAV-OALUTQOASA-N 432.381 4.538 10 10 IJCE CC(=O)N(C)c1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 744263971 ANIFWVJIDFPKDO-HSZRJFAPSA-N 441.491 4.829 10 10 IJCE Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)n1 1542430479 XCXLGKQFLMSTMN-UHFFFAOYSA-N 448.542 4.853 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873164599 JEVQYINNEMCPJR-UHFFFAOYSA-N 427.548 4.764 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1C1CC1 1886010884 XOHZYEFGZYSNFF-CVEARBPZSA-N 445.785 4.686 10 10 IJCE CC[C@@H](C1=NN2C(=N)C(=Cc3ccc(Br)o3)C(=O)N=C2S1)c1ccccc1 2293467626 SHXFWSCQKGJCEF-CYBMUJFWSA-N 443.326 4.855 10 10 IJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1 2296754936 UTKNOSRPYKTUEW-UHFFFAOYSA-N 426.563 4.542 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccco2)c(O)c1Br 2381131402 NANDABVVOKWDBN-GUYCJALGSA-N 439.350 4.800 10 10 IJCE CCNc1cc(N2CCN(c3ccccc3F)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612282 PEARUHGEVYRXJT-UHFFFAOYSA-N 442.494 4.937 10 10 IJCE CCOC(=O)c1c(NC(=O)CCC(=O)OCCCc2ccccc2)sc2c1CCCC2 13998361 LTTNANKKZSXZST-UHFFFAOYSA-N 443.565 4.698 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCOCC1 14548053 QYDJJZAFCIWBNM-NYUJMHJJSA-N 426.516 4.844 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)c(OC)c1 20071107 RLUQDFPZOBALDB-LVXARBLLSA-N 446.503 4.969 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 40888761 SUTPOTSBIVZQNK-HKWRFOASSA-N 441.574 4.810 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1c(O)cccc1Br)C1CCCCC1 706821693 MQNZSTNIMCYULJ-QGZVFWFLSA-N 427.383 4.718 10 10 IJCE Cc1ccc([C@H](C)CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 737649430 PYEKAQNSLJWCJO-YZYPPFLQSA-N 444.647 4.958 10 10 IJCE O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1CCc1ccc(O)cc1 1858587778 AYPONDHRRWKXNI-MHWRWJLKSA-N 438.343 4.738 10 10 IJCE CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592725 VRIAOKLCCQEWAM-DYGKOUCMSA-N 427.547 4.720 10 10 IJCE O=C1c2ccccc2C(=O)c2c(N=c3[nH]c(-c4ccccc4)nc4c3CCCC4)cccc21 1859832934 SZQYHCPDVMFMJY-UHFFFAOYSA-N 431.495 4.963 10 10 IJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 1865678183 YNAQACSIIQLRJX-UNOMPAQXSA-N 433.851 4.784 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1 1866291746 HBIXNZQUVUHNHC-UHFFFAOYSA-N 449.304 4.981 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 1890645853 QOQGUFIVLQEQJH-PXNSSMCTSA-N 440.469 4.810 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2cc(Br)ccc2O)C1 2100260024 SSIZYZPOHQFHFL-PBHICJAKSA-N 427.383 4.718 10 10 IJCE Cc1ccc(CNCc2csc(NC(=O)OC(C)(C)C)n2)c(O)c1Br 2327621275 LRYGINDDHHDRAK-UHFFFAOYSA-N 428.352 4.556 10 10 IJCE COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2cc(Br)ccc2F)cc1 2332129705 DUAIDEFBYWPFDH-UHFFFAOYSA-N 431.305 4.883 10 10 IJCE O=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccc(F)cc1 2387491 AITYLPUKXUFSDL-LDADJPATSA-N 425.872 4.941 10 10 IJCE CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)ccc21 65026941 MJQSAMJKLKWPND-UHFFFAOYSA-N 441.575 4.895 10 10 IJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 83319624 MRRVQTRFWFVHLY-MHWRWJLKSA-N 447.379 4.597 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(CNC2CC2)cc1Br 382757536 QXNIDAWBQFSHSO-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 1136697613 XZLXPXRFFVBYLI-VWLOTQADSA-N 449.595 4.550 10 10 IJCE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860083601 SIJGJZBHZMTCHT-AWEZNQCLSA-N 440.521 4.589 10 10 IJCE CC1(C)CCc2cc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2O1 1874179051 KGKXWUUCHUGOAR-UHFFFAOYSA-N 425.484 4.747 10 10 IJCE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1901482589 JEQJEWZICQUOED-SBUREZEXSA-N 447.539 4.853 10 10 IJCE CC[C@@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2101406167 WBPCEWLHNPZOJG-LJQANCHMSA-N 431.346 4.563 10 10 IJCE [N-]=[N+]=NCC1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243911148 OSIACSOWEGOQOK-UHFFFAOYSA-N 447.539 4.854 10 10 IJCE Cc1ccc(CNC[C@@H]2CCC(C)(C)N2C(=O)OC(C)(C)C)c(O)c1Br 2352672306 QXUGLQRQOZVHME-HNNXBMFYSA-N 427.383 4.731 10 10 IJCE CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)cc1OC(C)=O)N2 6089604 RGBNOSSQZDJADT-KHCICDEESA-N 435.476 4.540 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226744720 VPRACMOAGAIBKY-RNHFSVANSA-N 432.520 4.683 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1 226878170 RJDMCEDGSYFWKP-QTEQDKRBSA-N 426.582 4.989 10 10 IJCE CCN1/C(=C\C=C\c2sc3ccc(CO)cc3[n+]2CC)Sc2ccc(CO)cc21 249681569 BQETYTBXJTVPIF-UHFFFAOYSA-N 425.599 4.680 10 10 IJCE Cc1cc2c(n1-c1cc(Br)ccc1I)CCCC2=O 388607738 GCKVKCOQQPJAGW-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526470721 PEIATMPZUCDMCJ-DEOSSOPVSA-N 442.515 4.905 10 10 IJCE COc1ccc(NC(=O)C[C@@H](C)NCCc2cc(C)n(-c3ccccc3)c2C)c(OC)c1 761570705 FLOOTINTEKJQMH-GOSISDBHSA-N 435.568 4.661 10 10 IJCE Cc1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cc(Cl)ccc2n1 1866271346 PATCTQMFSKJDGS-JOCHJYFZSA-N 433.943 4.516 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CNCc1cc(Cl)cc(Br)c1O)C1CCC1 2082416082 RRARYQRIMOBECL-OAHLLOKOSA-N 433.774 4.591 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Br)c1O 2108255338 JQUYPMRECXTAKH-OVTCNUJSSA-N 445.785 4.590 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@]21CNCc1cc(Br)cc(F)c1O 2145600434 PVVPHKKNYASWTH-XOBRGWDASA-N 443.357 4.563 10 10 IJCE CC[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)c1cc(Br)ccc1O 2193242492 OAABZCQOELVTCE-GBESFXJTSA-N 439.344 4.961 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280347983 USDUCTWBDSRDLX-LLVKDONJSA-N 445.142 4.710 10 10 IJCE Cc1ccccc1NC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2295914184 JANKVSXVYMXHHI-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1OC(C)C 2314759949 AXFUBQZFCYJUHA-LJQANCHMSA-N 443.546 4.510 10 10 IJCE Cc1ccc(CNC[C@@](C)(NC(=O)OC(C)(C)C)C2CCC2)c(O)c1Br 2352682651 ZSZNAAAXECTCQA-HXUWFJFHSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(O)c1Br 2380795362 KLZIHFMWOBWCIG-HNNXBMFYSA-N 441.410 4.836 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)Nc2cccnc2)cc1 205960017 LRCGLRFQEJCRSF-RCCKNPSSSA-N 441.516 4.837 10 10 IJCE COC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871400 IOWFILGOYTVBND-UHFFFAOYSA-N 449.551 4.802 10 10 IJCE Cc1nn(Cc2c(O)cccc2Br)c(I)c1C1CCC1 2079673571 HZGQWEJPDSGYEV-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1C 2297470723 BDYVNBJWQANUJG-UHFFFAOYSA-N 445.470 4.892 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1Br 2297533126 PYXAUTRMFNHFLB-UHFFFAOYSA-N 433.396 4.917 10 10 IJCE CCCN(CCC)C(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331592492 QPXVGJBXISUGHR-UHFFFAOYSA-N 434.627 4.571 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(O)c1Br 2352671293 MQOIQBFUCQLQCV-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)sc2c1 1084157 ZOXIKVHYEWVTCL-CPNJWEJPSA-N 425.469 4.829 10 10 IJCE COc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3ccccc3O)C[C@@H]21 20070998 JSIGOVKZTJBCPB-DFBJGRDBSA-N 432.476 4.660 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)cc2)c1C 35105424 LYBUEHWGGAJPNS-OEAKJJBVSA-N 430.504 4.868 10 10 IJCE O=C(Oc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1)c1ccco1 102855119 XMJGNXCEKJTHKW-HMMYKYKNSA-N 435.526 4.943 10 10 IJCE CCC(CC)(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708078426 WNRIJMNMNHHJIV-UHFFFAOYSA-N 435.790 4.981 10 10 IJCE CN(C)c1ccc(CNC[C@@H]2C[C@H]3CCN2C[C@H]3c2cc(C3CCCCC3)nn2C)cc1 1616156468 VEUUVHDNQCONHH-PZUNEJSGSA-N 435.660 4.501 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)c(O)c1 2079026278 YUSLWTDXTLHOGZ-INIZCTEOSA-N 437.325 4.525 10 10 IJCE COc1cccc(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c1O 2079796990 WYFFMOHHABOLPJ-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE CC[C@H](N[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2098557118 NLTVZDFIXLWOHF-ZQIUZPCESA-N 427.383 4.841 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2NCc2ccc(Br)cc2O)C1 2156252336 VBVPUXRJQHBGTN-RXVVDRJESA-N 439.394 4.814 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(Br)c1 2186710964 HAIVKJWYKYZQNU-LIRRHRJNSA-N 443.307 4.756 10 10 IJCE N=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccs3)=NN12 2297499946 ZVEDHDUSOWRFMJ-UHFFFAOYSA-N 437.937 4.860 10 10 IJCE COc1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2457265 KAOMNBLWDFJENB-UHFFFAOYSA-N 427.460 4.628 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 9259623 QZVKJVOIESJGLW-RGEXLXHISA-N 438.911 4.714 10 10 IJCE CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612283 YMTJGLHGHDOQGQ-UHFFFAOYSA-N 442.494 4.937 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N2O1 20236442 CGAYTDXZWJTHLV-ZWEMGWPWSA-N 437.883 4.638 10 10 IJCE CCSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 54617040 ADHQDUAUZJUMCY-NRFANRHFSA-N 448.596 4.692 10 10 IJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 248011004 GFIXJXZQKIBGFF-RUZDIDTESA-N 449.576 4.929 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)c(Br)c1)C1CCN(Cc2ccccc2)CC1 312626650 BMLLCRJVEBAPCV-CSKARUKUSA-N 429.358 4.648 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 526394568 PRFYBMPTZIAFTH-QFIPXVFZSA-N 433.533 4.830 10 10 IJCE CC[C@]1(CNCc2c(O)cccc2Br)CCCCN1C(=O)OC(C)(C)C 706822200 XUBWZDXOIUSVOA-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 1860825243 VELVZIWSINGZOW-OQLLNIDSSA-N 434.336 4.549 10 10 IJCE CC(C)c1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cc(F)ccc2n1 1866277655 ARTVUKJKDMFOEA-DEOSSOPVSA-N 445.542 4.816 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079039396 CASMGOAVNCVHQV-INIZCTEOSA-N 439.341 4.771 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NCc1cc(Cl)cc(Br)c1O 2103910940 GKHRNQLJVXSUKO-RYUDHWBXSA-N 447.801 4.789 10 10 IJCE CC[C@H](N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21)c1cc(Br)ccc1O 2146660261 FWVASKPPYJHYEC-WQCNXYOZSA-N 439.394 4.983 10 10 IJCE Cc1[nH]c2ccccc2c1C=C1C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O 2296661275 CXLSLQDFGRNNIL-UHFFFAOYSA-N 431.546 4.986 10 10 IJCE Cc1c(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296663410 KTHPOJVYDNARRD-UHFFFAOYSA-N 441.965 4.544 10 10 IJCE CCCC[C@H](C(=O)O)N1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=S 2314542074 RVPOJBKNJNLAAX-CYBMUJFWSA-N 428.373 4.684 10 10 IJCE Cc1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)c1 3086969 MDZKTEXZJWHGEN-UHFFFAOYSA-N 427.529 4.964 10 10 IJCE CCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S 98002407 FQGAEIBIEVOACI-BOPFTXTBSA-N 447.607 4.838 10 10 IJCE O=C(/C=C/Sc1cc(F)ccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 797852112 QDYNAYKIYIBGFK-FMIVXFBMSA-N 440.462 4.957 10 10 IJCE C[C@H](NC(=O)NCc1cccc(COc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 920866639 HXZRZYXMLPIKJL-NRFANRHFSA-N 445.563 4.663 10 10 IJCE Brc1cc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)ccc1N1CCCCC1 1202457458 QHHLOUOXRCFXLF-DENIHFKCSA-N 430.390 4.844 10 10 IJCE CCn1c(O)nc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccc(OC)cc3)ccc21 1628566171 WPZKXLCREXLEHA-UHFFFAOYSA-N 444.535 4.683 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1ccc(OC)c(OC)c1 1857996779 FTOTXVQLUAZFAX-UHFFFAOYSA-N 439.443 4.579 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cc(C)ccc1C 1857996851 KDNKDJZEVSMVKQ-UHFFFAOYSA-N 443.500 4.727 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)cc1OCC 1860086732 DHZVCXBOEIOHTQ-CPNJWEJPSA-N 439.562 4.846 10 10 IJCE CCN(CC)c1ccc([C@H](O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044730250 MLLOORBIVOKSLC-ZEQRLZLVSA-N 441.616 4.592 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C=O)c1I 2080000557 WHMXCCVQCQVAIW-HNNXBMFYSA-N 438.309 4.674 10 10 IJCE CC1(C)CC[C@@H](NCc2cccc(Br)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155359098 XHSVXGNPKHAVGE-DOTOQJQBSA-N 441.410 4.964 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1ccccc1Br 2163036959 AJEKIQRDQPUHJG-LJQANCHMSA-N 434.378 4.610 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 14460619 SQVUOGYRHWFBOD-UDSSINMLSA-N 444.984 4.624 10 10 IJCE CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@@H]21 20702882 XRCZNYLOLYGZOV-UNKHORCTSA-N 434.536 4.975 10 10 IJCE COc1cccc([C@H]2CN(Cc3ccccc3O)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 34740288 ZOVRWWPLUBEOTM-UKILVPOCSA-N 438.612 4.757 10 10 IJCE CCCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 40940628 WYAIXGYCXPDEMB-XMHGGMMESA-N 426.563 4.720 10 10 IJCE COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4C)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 59861972 GINUDCWJRSZMJI-GZTJUZNOSA-N 447.403 4.679 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(C(=O)c2ccccc2)cc1 109448313 BMFYEXKGTIIYBU-UHFFFAOYSA-N 431.447 4.945 10 10 IJCE COc1ccc(N2CCC(NC(=O)/C=C/c3ccc(OCC(C)C)c(OC)c3)CC2)cc1 110361423 SSXFVQHXTRPDEY-WUXMJOGZSA-N 438.568 4.537 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2)N1CCc2ccccc21 226903584 VYRBZYVFBMFQBQ-DNRQZRRGSA-N 429.545 4.660 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)C12CCCC2 401503539 FJGIRNVJLMWIMF-QGZVFWFLSA-N 425.367 4.567 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1Cl 1858070075 FGZNXDMNTWERFM-UHFFFAOYSA-N 442.971 4.651 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 1860076491 CUXFHRNXMFFUFK-SFQUDFHCSA-N 428.491 4.567 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1OC 1860083910 DWAUYPCXOGXELV-VCHYOVAHSA-N 430.507 4.716 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3c[nH]c4cc(C(F)(F)F)ccc4c3=O)cc2)cc1 1866080975 XGLPVFLGTKBLFI-UHFFFAOYSA-N 437.421 4.972 10 10 IJCE CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872873972 MSNNHTMSKNWVJX-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1948172006 RENUDQBUJHVAEK-PKOBYXMFSA-N 433.346 4.607 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc(F)ccc1O 1952818729 LHARNJZDKZGIAJ-GBXCKJPGSA-N 447.462 4.928 10 10 IJCE COc1cccc(Cn2nc(C(C)C)c(C(C)(C)C)c2I)c1O 2079774105 XKCJXHTUVOWVMT-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNCc2cc(Br)ccc2O)C1 2151664748 BJEODDNJIBPYMW-MRXNPFEDSA-N 439.394 4.672 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Br)ccc2O)C(F)(F)CC1 2161227008 GOMVOXKQVPDRQI-AWEZNQCLSA-N 449.336 4.527 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1 2293674566 HXFBYEUFWWGIIE-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nc2ccccc2s1 2296879976 OCCZOTMJPWJRMV-UHFFFAOYSA-N 431.589 4.588 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)c1)C(=O)O 2314931385 NMRKMWCMYSEDGJ-GOSISDBHSA-N 427.547 4.951 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13645208 RQQBBQZQABGLOZ-FXSPECFOSA-N 432.612 4.651 10 10 IJCE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 110675176 ABKJCOLVKHFXLH-AREMUKBSSA-N 447.623 4.635 10 10 IJCE CN1CCc2cc(CNc3cc(Br)ccc3I)ccc21 312666640 XBOXXUVJPRBJPT-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE Cc1cc(CCNC(=O)c2ccccc2N(C)C(=O)c2ccco2)c(C)n1-c1ccccc1 731000219 WPWMDJAGTILUQF-UHFFFAOYSA-N 441.531 4.936 10 10 IJCE O=C(NCc1ccc(N2CCCC2)cc1)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 741395919 QMUXBMCTMVHFJR-UHFFFAOYSA-N 429.446 4.813 10 10 IJCE Oc1c(Br)cccc1CNCc1cc(Br)ccc1Br 1657997401 SRYRNQNCGGHSMD-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE CC[C@H](C)N(C(=O)Cc1ccc(OC)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910711 MGCWQJZNRFINNT-KRWDZBQOSA-N 427.500 4.845 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1 1860085861 OXMMODNZZJMGNO-CPNJWEJPSA-N 426.563 4.632 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Cl)cc1Cl 1860721488 XFBRAHIMEUWKDL-UHFFFAOYSA-N 438.536 4.843 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(Br)ccc1F 1891420859 JUHWTBBBELEIBA-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1901482590 JEQJEWZICQUOED-UZUQRXQVSA-N 447.539 4.853 10 10 IJCE CN(C)c1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1951376298 WJLUPIUCWRJLRO-HSZRJFAPSA-N 448.494 4.946 10 10 IJCE CN1CCc2cc([C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1951678792 IBVTVRYKXKRSHU-HHHXNRCGSA-N 442.515 4.517 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2185903953 NMDYDLNMNMTBJM-FUHWJXTLSA-N 439.394 4.985 10 10 IJCE CN[C@@H](c1ccccc1O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237430204 XDICLMGGYKMWSB-MJGOQNOKSA-N 435.362 4.551 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 2321743468 LCTDQILMRODQCK-UHFFFAOYSA-N 425.579 4.897 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Br 2352673858 YTQQYUVNAXMILU-CJNGLKHVSA-N 427.383 4.588 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OCC 13343172 JGPQQNGDWRRGLG-JXAWBTAJSA-N 437.583 4.720 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCOCC1 14548055 QYDJJZAFCIWBNM-BNIKKZEQSA-N 426.516 4.844 10 10 IJCE Cc1ccc(C)c(N2C(=O)/C(=C/c3cc4c5c(c3)CCCN5CCC4)C(O)=NC2=S)c1 33332447 DUEVJJVVGWRBSA-XSFVSMFZSA-N 431.561 4.674 10 10 IJCE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 33382566 DQHSCXROZBGPAE-AMWUQPRHSA-N 445.529 4.802 10 10 IJCE CC(C)COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 40888215 WBLXJSNDWPLZFW-NDENLUEZSA-N 441.574 4.666 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(Cc4ccccc4)c3C)C2=O)c1C 59858757 MYVIIVFPQKOQBT-BKUYFWCQSA-N 428.492 4.672 10 10 IJCE CC(=O)N1CCC(Cc2ccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2)CC1 820566715 CIVCEEMABRPEDS-UHFFFAOYSA-N 447.623 4.750 10 10 IJCE C/C(=C\C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1OC(F)F 1630550323 NKUDNMSYXGYNCD-DAPLNWGVSA-N 448.485 4.760 10 10 IJCE C/C(=C/C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1OC(F)F 1631607923 JXJMEJRYUOFKIP-TXOBRMIJSA-N 444.522 4.965 10 10 IJCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865668993 AKXCRIJPFWYMSY-HZHRSRAPSA-N 442.515 4.851 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1ccccc1F 1865679707 BVROFDHAWSGSID-ZROIWOOFSA-N 427.195 4.932 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2098555388 IKVTXPVFDBODJC-XLNGHYISSA-N 425.367 4.593 10 10 IJCE C[C@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115922412 HISKEIUGZQYMIQ-QWHCGFSZSA-N 447.801 4.791 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158897241 SIXZHKUEJASOAF-CXHZTBPHSA-N 439.394 4.841 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158897244 SIXZHKUEJASOAF-YQYZPQCESA-N 439.394 4.841 10 10 IJCE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2293453443 JCEGQKNWKHNHRA-UHFFFAOYSA-N 448.401 4.586 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 2297468928 XAZGMVNKUPZUOU-UHFFFAOYSA-N 429.958 4.687 10 10 IJCE COc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)c(Br)cc1O 2297576973 FUTOLUKHLHRVNB-UHFFFAOYSA-N 428.373 4.697 10 10 IJCE CCc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 2313683391 YYPTVVGDFZDLNW-UHFFFAOYSA-N 434.521 4.511 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc1 2321647311 OUJPYPPJJFHSFW-UHFFFAOYSA-N 440.590 4.648 10 10 IJCE CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141264 NLQROPMIKNYFJU-UHFFFAOYSA-N 429.432 4.715 10 10 IJCE Cc1ccc(CN2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1Br 2380786509 KTRNJYFUARDREH-CTNGQTDRSA-N 429.402 4.950 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)o1 20238963 FVXAOYQIUZWROH-BTWTVLLVSA-N 437.481 4.828 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3Cc3ccccc3Cl)C(=O)N=C2S1 96602705 JRAQVBMCMSJLRO-ONNBZHDSSA-N 425.945 4.999 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)C(C)(C)C1 721934881 YSZQYINCPAUGLZ-AWEZNQCLSA-N 433.774 4.543 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ccnn3C)cc2Cl)C1 800721643 PVPANFDKNTWLCE-HTAPYJJXSA-N 429.996 4.747 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1)C(C)C 1678579545 GAKSRAAHGCUKCN-UHFFFAOYSA-N 442.523 4.797 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)cc1 1865886659 GZWAZLMLFHAZTL-UHFFFAOYSA-N 447.494 4.913 10 10 IJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)SC1=S 1871287330 ONJQJFGPQHYSNV-YBFXNURJSA-N 444.553 4.700 10 10 IJCE CN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1999527907 UCJDWBBTRABWQT-JTHBVZDNSA-N 427.589 4.513 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O 2297561278 VQJNTDHQCFMOSI-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)S2)C1 2314433808 UPDXSRQBQSUCQG-CYBMUJFWSA-N 431.539 4.527 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)N(C)C)cc1 2318683672 DJXATIAFTRVGAR-LJQANCHMSA-N 430.570 4.647 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc(N(C)C)cc2)cc1 2332096398 CMJRCJSHGXJCRA-UHFFFAOYSA-N 429.495 4.730 10 10 IJCE Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(C)C)c(O)c1Br 2352678608 FWFWFLCEZLPGQW-HOCLYGCPSA-N 429.399 4.738 10 10 IJCE Cc1ccc(CNC[C@](C)(NC(=O)OC(C)(C)C)C2CCC2)c(O)c1Br 2352682650 ZSZNAAAXECTCQA-FQEVSTJZSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CNC[C@@H](F)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2381141584 BHFAMOGOIZNVLH-MRXNPFEDSA-N 445.373 4.538 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 13645211 RQQBBQZQABGLOZ-PLXFJCCSSA-N 432.612 4.651 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 20695481 SQVUOGYRHWFBOD-JEBQKTDQSA-N 444.984 4.624 10 10 IJCE COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)c(OC)c1 39861703 FLFWXFAYIHVKKZ-NXLLQJLMSA-N 428.491 4.574 10 10 IJCE FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ncc(-c2ccccc2)s1 770718606 FCYBATOOCABBMN-UHFFFAOYSA-N 433.499 4.955 10 10 IJCE CC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1Cl 783123823 TXPNPHGGTXHNGY-ZIAGYGMSSA-N 433.911 4.617 10 10 IJCE O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859707544 SQERECHXTCNNEM-UHFFFAOYSA-N 440.430 4.827 10 10 IJCE CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 1865653974 BSFQOFIQQYLHOA-WJDWOHSUSA-N 438.247 4.864 10 10 IJCE CCOCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1874170063 PUOSHEBXXJNPGB-UHFFFAOYSA-N 436.508 4.548 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951595230 QZNMDXKTIPEWAN-QHCPKHFHSA-N 447.487 4.933 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1c1cc(Cl)cc(Br)c1O 1952537209 JZDLQRDZGFHWIJ-NOZJJQNGSA-N 434.714 4.581 10 10 IJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C=O 2079951554 UKZSTYCUPUSBIK-QGZVFWFLSA-N 438.309 4.575 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(CO)c2Br)C2(C)CC2)cc1C 2080036782 KLQISFPVHLIIPN-HNNXBMFYSA-N 433.268 4.869 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(C)c4)c(Cl)c3)C(=N)N2O1 2297347754 ZEERNJWHZYSFLU-UHFFFAOYSA-N 437.883 4.557 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(C)C 2297561442 BRWYMPDSTYJFOS-UHFFFAOYSA-N 443.546 4.865 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)SC1=S 2314593345 LKSWGJAYWHIILG-UHFFFAOYSA-N 444.921 4.824 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702561 CEOPADWUKNSSMC-IECBHUPTSA-N 432.520 4.683 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 40859245 SSGIVMPNPXTGAF-XMHGGMMESA-N 426.563 4.725 10 10 IJCE Cc1cc(/C=C\C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 96993352 LGSNOLPWJZCZNC-HVMBHNBBSA-N 443.595 4.831 10 10 IJCE COc1cc(O)ncc1C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 1160644738 AFWAMDQZUHEIFT-SFHVURJKSA-N 445.441 4.721 10 10 IJCE CC(=O)c1cc(F)ccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1535362188 XNWDRFIHPWMNOJ-GZTJUZNOSA-N 448.566 4.710 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675674 UPTNSKGUGZMHAP-HYARGMPZSA-N 446.890 4.877 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(N)c1I 2080043404 ULJCAGRKSXOQDL-ZDUSSCGKSA-N 427.330 4.689 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccccc2OCc2cccc3ccccc23)SC1=S 2293512369 VVAMWDXTVMNAHS-UHFFFAOYSA-N 435.526 4.705 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 2313501919 FLNZBDCRAJBCRZ-UHFFFAOYSA-N 441.622 4.837 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 2321613343 KBNSYVDTIJQFJT-UHFFFAOYSA-N 429.519 4.619 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 20210780 HUKSQCGLSDZBMT-IVLGQENNSA-N 449.898 4.937 10 10 IJCE Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 728188992 XWVYDXLENOQHNY-UHFFFAOYSA-N 439.899 4.583 10 10 IJCE CC(=O)c1cc(Cl)cc(CNC2(c3ccc(Br)cc3)CCOCC2)c1O 750039603 QQZKFVATLFKHBB-UHFFFAOYSA-N 438.749 4.806 10 10 IJCE CCS(=O)(=O)c1cc(Cl)ccc1/N=N/[C@H]1C(=O)N(c2ccccc2Cl)N=C1C 1615944734 LMWSAURFZQEQPB-BFQBXFRASA-N 439.324 4.662 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc3cnccc3c2)N2CCCCC2)cc1 1866162106 ZPFRBYMNZBBMFZ-WQZBXLAZSA-N 428.580 4.657 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 1984694958 NWCBTADOETWSMA-SBUREZEXSA-N 447.539 4.851 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1984695171 PGEFSBFFOQBAKT-HXOBKFHXSA-N 447.539 4.709 10 10 IJCE CC[C@@H](N[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2036152142 VXRPCCUCCSFRHO-AZUAARDMSA-N 447.373 4.997 10 10 IJCE Brc1cc(N2CC3(CC(OCc4ccccc4)C3)C2)ccc1CNC1CC1 2165055357 JYJWCJVFWXLTQT-UHFFFAOYSA-N 427.386 4.887 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2188883096 GQHMDDCKHSFSBF-HFJQGTKSSA-N 428.418 4.830 10 10 IJCE CC(NC1Cc2ccccc2C1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2313710617 NEEITQFSFFAROW-UHFFFAOYSA-N 442.466 4.592 10 10 IJCE Cc1ccc(CNCC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352694651 WLUVIILNIZLMNV-GDBMZVCRSA-N 427.383 4.636 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 33458470 MASLKHTWMHYHNX-OVCLIPMQSA-N 441.452 4.834 10 10 IJCE CCCCOc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 40945893 FIETYVRAZXFOFY-UHFFFAOYSA-N 433.511 4.698 10 10 IJCE CSCC[C@@H](NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C)c1nnc2ccccn12 105222064 LPPSMJAMNRAZAC-CHHLAKQQSA-N 445.592 4.761 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 323372076 DPCIGMYWTVFCOA-SYJIQKIWSA-N 429.358 4.505 10 10 IJCE CCCNCc1ccc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 382755390 MOKIFGAUNAJZFD-NRFANRHFSA-N 430.434 4.907 10 10 IJCE CC[C@H](NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1cc(Br)ccc1O 398840252 OLVAVMRUNNQWBM-RDJZCZTQSA-N 431.371 4.676 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 526552909 RQQSPCWRCGLEBC-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE CCNCc1ccc(N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)c(Br)c1 719948735 UWGCALRAIQUNHY-NRFANRHFSA-N 430.434 4.907 10 10 IJCE Cc1cc(C(=O)COC(=O)c2ccnnc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 778841419 ZGIGKVPSUCKBFT-UHFFFAOYSA-N 437.805 4.596 10 10 IJCE C/C(=C/c1cccc(C(F)(F)F)c1)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 808381748 SWDMEUYUSUQRJW-PGNDWZGLSA-N 431.502 4.600 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 1860076615 POINBCWXBGDFTG-XMHGGMMESA-N 426.563 4.725 10 10 IJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 1860086898 NYYVFXBAEGFOTR-OQLLNIDSSA-N 434.336 4.642 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867971940 HZBWKYWWLDRNEW-NRFANRHFSA-N 443.595 4.715 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873164601 JFOJDALPLGKDDF-UHFFFAOYSA-N 433.577 4.825 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Cl)c(C(F)(F)F)c1 1891687325 TVJBKUFBAQMEHC-HOCLYGCPSA-N 444.906 4.826 10 10 IJCE CC[C@H](NC[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2205648142 GHPFHVNHMGJXRO-QXRTWZOPSA-N 439.394 4.841 10 10 IJCE COc1ccc(Br)c(CNC[C@H]2CCN(Cc3ccccc3)C2(C)C)c1O 2236055811 RTCPHEHFIXIBKM-QGZVFWFLSA-N 433.390 4.554 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1ccccc1 2296881847 CFAXLSKZDBSOKL-UHFFFAOYSA-N 444.647 4.869 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1 13643934 OXQVKDBGWJKNLY-VIZSFHNOSA-N 425.598 4.656 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1 14461918 PXWIPSUJTYSWJM-ZEVJAHDQSA-N 444.623 4.747 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 33326902 OKMTYWIBDQBUTQ-CPNJWEJPSA-N 426.563 4.542 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 35640497 NEFOTPNLNALMMC-UVTDQMKNSA-N 426.441 4.528 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 206447219 IQRDKWHXZLPYNG-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1C 1084055681 NMDGNKQREDVHOI-JCMHNJIXSA-N 426.472 4.549 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858593914 DDPWAMJUUQMKKH-LQOIVRHRSA-N 426.607 4.762 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658535 JXJPLXLGUUFKCP-KGENOOAVSA-N 448.906 4.893 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675572 OMRKUMPQCQVNJJ-HZHRSRAPSA-N 426.472 4.532 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)CC2(CC2)C1 2098584685 IJHNIMHYWNVDSU-CQSZACIVSA-N 445.785 4.687 10 10 IJCE Cc1ccc(COc2cccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1 2293638402 SNJOTXRIMNDDEA-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccccc1 2296394097 VWEVMSPTHSDUEN-UHFFFAOYSA-N 434.521 4.693 10 10 IJCE CC(C)COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 2313631497 OYCHBUTUEZJSGG-UHFFFAOYSA-N 428.488 4.537 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1 2321718281 XJLURZLNYCXXMZ-UHFFFAOYSA-N 426.563 4.725 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccccn2)cc1 2332128662 PPNWDMKBPKPJSI-UHFFFAOYSA-N 434.293 4.687 10 10 IJCE Cc1ccc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)c(O)c1Br 2380811287 JTQCWFZWVGDHBI-UHFFFAOYSA-N 435.362 4.778 10 10 IJCE COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1C 13110865 PJNKZZAHEARXBH-ZWEMGWPWSA-N 449.532 4.628 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 13643865 MXPJUCMCPQXBRX-LGVFNWMJSA-N 425.598 4.610 10 10 IJCE CCO[C@@H]1[C@@H](NC(=O)CC)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 209322188 TWPNEQSMPPUWEF-BJKOFHAPSA-N 442.987 4.565 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1 210744051 FZIJDNGEUOPJFL-XMHGGMMESA-N 444.553 4.932 10 10 IJCE O=C(O)CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 1081073766 UIIJASIGXUOSED-HMMYKYKNSA-N 444.443 4.686 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)C1CC1 1565811686 AYSNXJBQAIEXDJ-UHFFFAOYSA-N 429.520 4.670 10 10 IJCE COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)CC2)cc1 1858138268 SVEDQMYSCNVBDH-UHFFFAOYSA-N 433.552 4.673 10 10 IJCE CCCC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)CC1 1860626598 ZZTHJQWFZJARAG-UHFFFAOYSA-N 442.581 4.877 10 10 IJCE CCOc1cc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)ccc1O 1865649859 ICPMCXOOWJEDLN-WQLSENKSSA-N 442.796 4.928 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664302 KAVVUUGOXJEHER-QGOAFFKASA-N 434.879 4.897 10 10 IJCE O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865859004 DEANCQZDFOLLMX-UHFFFAOYSA-N 440.238 4.719 10 10 IJCE CCC1(NC(=O)OC(C)(C)C)CC(NCc2cc(Cl)cc(Br)c2O)C1 2035373904 VSADUIGYXUEUOA-UHFFFAOYSA-N 433.774 4.734 10 10 IJCE O=C(OCc1ccccc1)N1C[C@H](NCc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 2089115759 DOOLODSAIZFQHE-IBGZPJMESA-N 435.351 4.980 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@@H](CNCc1cccc(Br)c1O)c1ccccc1 2175016571 HQAHECMPXDMKPR-SFHVURJKSA-N 435.362 4.853 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296756291 YOOBPKFXALNYDH-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 2297499294 PFLQAVZICCKRRM-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CC(=C1SC(=S)N([C@H](CC(C)C)C(=O)O)C1=O)c1ccc(Br)cc1 2314541442 LXVOQKQQDPTIPT-CYBMUJFWSA-N 428.373 4.540 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1 2314832101 ZNGHUXIXALHRDW-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE Cc1ccc(CNC[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352695267 ZQWGPHXQPPKZCG-HXUWFJFHSA-N 427.383 4.732 10 10 IJCE CCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 383799802 YPWGGSVHLIACFY-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)c1 1860087007 VLNFOWNYZBISEM-CPNJWEJPSA-N 443.546 4.676 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1 1865678357 IEBIFVNVKIJAGZ-BKUYFWCQSA-N 446.478 4.682 10 10 IJCE CC[C@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 2101406166 WBPCEWLHNPZOJG-IBGZPJMESA-N 431.346 4.563 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CC3)c(Br)c2)[C@@H](C)CN1Cc1ccccc1 2152157037 AVGCVDAPHSKMFP-ROUUACIJSA-N 428.418 4.800 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cc(C)ccc2C)c1C 2294085091 LXJMTQWPXZPPAO-JOCHJYFZSA-N 448.563 4.563 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O 2313510685 FBTMAZJHFJQFQG-UHFFFAOYSA-N 448.302 4.975 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Br 2380811335 KBWUTIIJXHCYOF-BHYGNILZSA-N 439.394 4.731 10 10 IJCE CCCCN1C(=O)/C(=C/C=C2\Sc3ccc(Cl)cc3N2CCO)SC1=S 34703081 GXJGDBUMSLUWNF-JYNHMFOOSA-N 427.016 4.630 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 40940350 KJDGBAXTXFIXHP-SFQUDFHCSA-N 432.954 4.675 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 96822585 STPOBHVNWMQTIB-LICLKQGHSA-N 432.701 4.980 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 226798595 OQJKXQBPKCVLBP-IECBHUPTSA-N 442.581 4.735 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1cc(Br)ccc1I 706992553 OLEJHHUIRMVIMD-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 708099489 PXMMIDIQOWMRQT-CHWSQXEVSA-N 447.801 4.933 10 10 IJCE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)cc2F)C[C@@H](C)O1 745649039 XNKTWGROCQJTGE-QSNWEANLSA-N 429.536 4.715 10 10 IJCE COc1cc(N(C)Cc2ccnc(-c3ccc(Br)cc3)n2)cc(OC)c1OC 750079603 HKYRDRWGYDFPLU-UHFFFAOYSA-N 444.329 4.568 10 10 IJCE COC(=O)c1csc(-c2cccc(CNCc3cc(C)cc(Br)c3O)c2)n1 790994561 BTUMMJPPNLUMDP-UHFFFAOYSA-N 447.354 4.663 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 791355180 CBSFMQAHFXAPGY-UHFFFAOYSA-N 431.471 4.845 10 10 IJCE C=COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1527997188 PKBWGWBXLAJJJA-LGMDPLHJSA-N 430.576 4.891 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 1860086088 JJHZQDPRYGKXQJ-WOJGMQOQSA-N 438.486 4.868 10 10 IJCE CCN1N=C(C)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)C1=O 1865675788 ADTBFSSMPZQXAR-CXUHLZMHSA-N 433.291 4.843 10 10 IJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865925961 VQYYRNBXRYLUOZ-QHCPKHFHSA-N 441.575 4.976 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H](C)[C@@H](C)C(=O)NC2CCCC2)sc(C)c1-c1ccccc1 1866230641 OIZKNWLCAOJFQI-CABCVRRESA-N 442.581 4.780 10 10 IJCE CC[C@H](C)NC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870958256 VNLBHCCWWGXTSK-IBGZPJMESA-N 448.567 4.517 10 10 IJCE COc1ccc([C@H](C)n2ncc(C3CCCCC3)c2I)c(O)c1 2070321667 MHALUQPRCZSKJT-LBPRGKRZSA-N 426.298 4.859 10 10 IJCE C[C@@H]1C[C@H](N(C)c2ccc(C=CC(=O)O)cc2Br)CN1Cc1ccccc1 2154834314 WTOGJLJKVHPORH-APWZRJJASA-N 429.358 4.646 10 10 IJCE CCN1C(=O)C(=Cc2cccc(OCCCOc3cccc(OC)c3)c2)SC1=S 2297500167 OTOTXHWNUYAYBR-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)o2)cc1 2314433476 NPKZJGQLBMTULG-KRWDZBQOSA-N 443.546 4.504 10 10 IJCE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)S2)C[C@H](C)O1 2314480711 KXWNMAFBORCRNF-ROUUACIJSA-N 444.560 4.619 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)O)c(OC)c2)SC1=S 2314931684 HKPWTASFCPMFGZ-CYBMUJFWSA-N 443.546 4.515 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127254 FIQZLYMSGOHEBR-UHFFFAOYSA-N 440.499 4.605 10 10 IJCE COc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1OC 8602227 ZVCOHLHKFIEFRL-SFHVURJKSA-N 432.564 4.900 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@@H]2C=CC[C@@H]21 226875165 UTPKHGMCQAUDBV-IEGUWTFLSA-N 426.582 4.989 10 10 IJCE CC1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 708072255 FREGVSFEGGKJDP-UHFFFAOYSA-N 433.774 4.687 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 1083971246 QVXQDLBOCDJDLG-HMAPJEAMSA-N 445.494 4.623 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)[C@H]1C[C@@H]1C 1624790012 ZCWFOZXVENMFGL-QLXKLKPCSA-N 443.547 4.849 10 10 IJCE CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859892088 YSXOKEYTRXOQMI-NTEUORMPSA-N 440.455 4.825 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1 1860086712 CGOHDHIBGBHMFV-DEDYPNTBSA-N 440.590 4.721 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1OCC 1860087034 WJDFQSSIXFTCDS-UDWIEESQSA-N 443.546 4.661 10 10 IJCE CN[C@H](C)c1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2149559676 AAMQZQIEMOYABZ-MRXNPFEDSA-N 438.360 4.687 10 10 IJCE CC[C@@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)CCN1Cc1ccccc1 2152156555 TYRYLEVJBMQYHI-LJQANCHMSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@@H]2CCCC[C@H]21 2179398479 PGHBNKYJSZLQTF-RYQLBKOJSA-N 439.394 4.670 10 10 IJCE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1 2314926351 HDKWSCIBRHCFDE-UHFFFAOYSA-N 449.594 4.880 10 10 IJCE c1ccc(C(c2ccccc2)N2CCN(N=Nc3ccc(N4CCOCC4)cc3)CC2)cc1 2330245745 IJRUNSRFXJBFSP-UHFFFAOYSA-N 441.579 4.929 10 10 IJCE CC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 38207128 RPGOKWMCHCAEDO-UHFFFAOYSA-N 441.512 4.550 10 10 IJCE CCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 702071154 JHZHLBXUSKDEIP-NFBKMPQASA-N 428.418 4.517 10 10 IJCE C=CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C(C)C)C1CC1 1705851512 JHTUHNUKFSNCIJ-SANMLTNESA-N 433.600 4.914 10 10 IJCE Nc1ccc(Oc2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2)cc1 1865917395 HAPFOXLDUIEMJS-UHFFFAOYSA-N 442.471 4.674 10 10 IJCE CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865985322 ITCBAPDXKKBFST-OSPHWJPCSA-N 441.531 4.509 10 10 IJCE CCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421924 XEENVLMRVOWQBK-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1(c2ccc(Br)cc2)CC1 1891257451 KWAKNCDEKGCHHT-UWJYYQICSA-N 425.370 4.786 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CNCc1cc(Br)cc(F)c1O 1965974215 GQYVEEYXHOFBBB-HNNXBMFYSA-N 443.357 4.563 10 10 IJCE CC(C)(C)OC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1Br 2079171428 SLWCTQFIXAEXMR-UHFFFAOYSA-N 439.203 4.513 10 10 IJCE CC1(c2nn(Cc3ccc(Cl)cc3O)c(I)c2C2(C)CC2)CC1 2079752440 KYTSNGIBMJEZNC-UHFFFAOYSA-N 442.728 4.998 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148936864 ZTIHMHXKDAPKAX-IHPCNDPISA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2Br)C[C@@H]1C(F)(F)F 2264568427 FWOKLUQEESDTDW-ZWNOBZJWSA-N 438.288 4.774 10 10 IJCE Cc1csc2nc(Cl)c(C=C3SC(=S)N(CCc4ccc(F)cc4)C3=O)n12 2323858655 YNAGFEVOXVVTII-UHFFFAOYSA-N 437.974 4.941 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2c2ccccc2)cc1OC 2332125718 HUJMSGFIJZFAAF-UHFFFAOYSA-N 429.314 4.506 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349782365 SFGRKWYYVVMWER-NSHDSACASA-N 435.107 4.576 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=S 8765874 KIAUKQCFOJCAPG-XNTDXEJSSA-N 449.351 4.640 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 14473342 QBXDMJRXDFKHST-ZDPZECHZSA-N 441.915 4.841 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1OC 59396771 VROUMATUPUAHAI-PDGQHHTCSA-N 430.507 4.798 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 210721589 SWIUNTSCPYZHMM-XMHGGMMESA-N 444.553 4.845 10 10 IJCE C[C@@H]1CN(C2=NC(=O)/C(=C\C3=Cc4ccccc4O[C@H]3c3ccccc3)S2)C[C@@H](C)O1 256019057 IHLSEVPMTLNXFC-NXHXQASPSA-N 432.545 4.826 10 10 IJCE CC[C@H](N[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 690944111 LNVRMUGWSFXFPU-KMFMINBZSA-N 427.383 4.983 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1O 1191583127 ZFISQUBNIGSOJP-KRWDZBQOSA-N 429.948 4.590 10 10 IJCE CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(C)C 1457106597 ZWCOAKPSJHNGBD-GOSISDBHSA-N 446.494 4.677 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1 1872957260 ZWBKYFGJKXKPMM-UHFFFAOYSA-N 427.504 4.537 10 10 IJCE CN1CCC(N(Cc2ccccc2)c2ccc(C=CC(=O)O)cc2Br)CC1 2152216870 FRJDFQZAADQHFH-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)O)c1 2297511437 LESZHEREKFPFIP-UHFFFAOYSA-N 434.677 4.519 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2332455437 CBALSTGWTZSWOX-FRFSOERESA-N 427.383 4.841 10 10 IJCE CC[C@@H](NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355434016 BETZHWFSXCWYFV-OXXUSNJHSA-N 439.394 4.983 10 10 IJCE Cc1ccc(CN[C@]2(CNC(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)c(O)c1Br 2380805835 RPQUIJSWERSUDU-HTZUNMPGSA-N 439.394 4.636 10 10 IJCE Cc1ccc(CN(C)Cc2ccccc2I)c(O)c1Br 2381126830 BXFYTFBDNLZWMC-UHFFFAOYSA-N 446.126 4.700 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 34262691 FWWAICFTVYRUNN-CXUHLZMHSA-N 436.352 4.872 10 10 IJCE O=C1/C(=C/NC2Cc3ccccc3C2)C(c2ccccc2)=NN1c1nc2ccccc2s1 206229408 MIJYPUAHIUTECR-LTGZKZEYSA-N 436.540 4.688 10 10 IJCE CN(c1ccc(/C=C/C(=O)O)cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 388874531 QFWFNZJEHWIASN-FMAYLGMYSA-N 429.358 4.648 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526573222 VAKHSKACAWSILF-QHCPKHFHSA-N 448.450 4.643 10 10 IJCE Cc1cc(CCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(C)n1-c1ccccc1 748022043 MRPDDLMXMHIRSP-NRFANRHFSA-N 445.611 4.556 10 10 IJCE CC(=O)N1CCCN(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c2ccccc21 1307546485 ONVVTGQSNGLIIH-UHFFFAOYSA-N 435.568 4.743 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nc2ccc(F)cc2c2ncccc12 1891659220 ZOMXEOREHZNLQJ-PXNSSMCTSA-N 426.495 4.841 10 10 IJCE Brc1cc(CNC2CC2)ccc1N1CC2(CC(OCc3ccccc3)C2)C1 2165055127 HESASYSDMOAGBC-UHFFFAOYSA-N 427.386 4.887 10 10 IJCE Cc1cc(Br)c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cc1NC(=O)OC(C)(C)C 2180957930 SVEYEEVCTTZEEK-GFCCVEGCSA-N 438.326 4.877 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(Br)cc1 2294028597 YRFMTONVAJDDRA-UHFFFAOYSA-N 426.310 4.630 10 10 IJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1 2296398094 SGLXTYFFVRLTFK-GOSISDBHSA-N 427.504 4.716 10 10 IJCE CC(C)(C)OC(=O)NCCCc1ccnc(NCc2c(O)cccc2Br)c1 2370295572 WNHLTBIYIZJQPI-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15047483 FFODRHJYGCUGQU-CCNLRRDASA-N 426.563 4.622 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 33787415 QFCGHRAROCYKLG-MHWRWJLKSA-N 446.286 4.657 10 10 IJCE Cc1cc(F)cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687754954 CLFRJSNQGMWYHY-QFIPXVFZSA-N 435.451 4.894 10 10 IJCE Brc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Br 1474242397 IJQIZIOMWQVIHZ-UHFFFAOYSA-N 426.152 4.660 10 10 IJCE CCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421842 UDKLEKIPYIYRRZ-UHFFFAOYSA-N 429.520 4.705 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(NCc2ccc(Br)cc2O)cc1F 1962861393 TYBMYPLVXKWHII-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CC3)cc2Br)[C@@H](C)CN1Cc1ccccc1 2152169745 PWRDBALIFZNYPI-ROUUACIJSA-N 428.418 4.800 10 10 IJCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O 2332134119 MBAZNKKBTNREFK-UHFFFAOYSA-N 440.499 4.954 10 10 IJCE COc1ccc(Br)c(CN[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c1O 2358678207 NHGOXIPVVYLXLR-CLWJZODNSA-N 432.358 4.637 10 10 IJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccs3)CC2)cc1 20289551 QULFDIRNXBKOKN-VGOFRKELSA-N 441.622 4.500 10 10 IJCE COc1ccc(N2CCN(c3ncnc(Oc4ccc(C(C)C)cc4)c3[N+](=O)[O-])CC2)cc1 40610936 PGQLEOMZISDBLA-UHFFFAOYSA-N 449.511 4.636 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(O)=NC2=S)cc1 96476792 URPVXCYQRWUFRP-NTUHNPAUSA-N 437.304 4.769 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CCC(=O)O)nc1-c1cc2ccccc2o1 104823408 HWMIAHSADQSGDC-DEDYPNTBSA-N 440.459 4.577 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccccc1 210758965 XFLNSEBGXQYORS-NBVRZTHBSA-N 430.620 4.826 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526343760 PJCKDCFTGZEPQS-XMMPIXPASA-N 447.487 4.951 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058966 SIPROZNIZAWARD-WEYGHZABSA-N 429.402 4.993 10 10 IJCE CCN(CC)c1ccc(CN(C)C(=O)Cn2c(-c3scnc3C)nc3ccccc32)cc1 742498859 SPNZBWIQZPUMET-UHFFFAOYSA-N 447.608 4.973 10 10 IJCE CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 1270431211 IEHJXMAABVBNRL-SJLPKXTDSA-N 428.960 4.863 10 10 IJCE Brc1cc(CNCc2cccc(Cn3cccn3)c2)ccc1N1CCCCC1 1473951241 VRAPYEIYELGIBF-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE Cc1cc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 1642828178 COXLBLVNBGBPGX-IBGZPJMESA-N 425.916 4.598 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1O 1655926282 RCIZSNJLIIBQLM-GAJHUEQPSA-N 436.980 4.765 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1O 1951773467 RIUOHCHBABCYBX-JOCHJYFZSA-N 435.476 4.804 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCC2)cc1 2044729798 JLZDEYPBJGFOFO-WUMKDDEVSA-N 440.584 4.819 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3cccc(Br)c3O)CCCCC[C@@H]12 2153951203 WIBKNGRESPCRTA-DYESRHJHSA-N 439.394 4.957 10 10 IJCE C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccccc32)c2ccccc21 2297318873 JEYFBIHYNZVOLM-KDURUIRLSA-N 427.548 4.948 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)cc2)SC1=S 2314769964 XJZIDOMVVDILDI-LJQANCHMSA-N 427.547 4.591 10 10 IJCE O=C(CCCN1C(=O)S/C(=C\c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 1236313 JQYDWIFEFYUJLG-LGMDPLHJSA-N 426.519 4.641 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 9526953 QZFTZEOTTJMALL-VWLOTQADSA-N 449.982 4.705 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 20071323 SFCZNIANLAOCEM-SQJMNOBHSA-N 432.476 4.660 10 10 IJCE Cc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(N(C)C)cc1 33343267 HYXPAUWATJGMRN-HMAPJEAMSA-N 446.482 4.806 10 10 IJCE Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1C 34967061 DKUUDKVYTSVOKA-QFIPXVFZSA-N 439.581 4.698 10 10 IJCE CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 40940032 WOSPSPHAUMHADN-SFQUDFHCSA-N 432.954 4.675 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc2c1C(=O)[C@@H]1C=CC=C[C@@H]1C2=O 101350811 BCIIGVGKEFMADL-HUKQRPNASA-N 443.890 4.796 10 10 IJCE COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)CC2)cc1 110474483 BXZJJKZMVRBLHT-HXUWFJFHSA-N 430.548 4.915 10 10 IJCE O=C(Cc1ccccc1)NCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 248003652 RSIXCBPGYYLZGG-NDEPHWFRSA-N 438.527 4.500 10 10 IJCE Cc1c(F)ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687756348 ZPDZZGGYAXEQQA-QFIPXVFZSA-N 435.451 4.894 10 10 IJCE CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(N4CCCC4=O)cc3)cc2)CC1 731115972 IIRVGOBZTDQSEQ-FQEVSTJZSA-N 434.584 4.610 10 10 IJCE C[S@@](=O)Cc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 734506139 FBUMMKSAWDQAIA-GHRAFVERSA-N 446.532 4.725 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@@H]1Cc2ccccc21 803272657 AZDMUEVYCSHWJE-BRYHAGSVSA-N 429.588 4.613 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1O 1658211989 WSGDVVCAPXKYFG-JOCHJYFZSA-N 439.943 4.624 10 10 IJCE COc1ccc(-c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)s2)cc1 1859707668 YKUSMLJFFZCIRT-UHFFFAOYSA-N 440.480 4.846 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCCC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867982740 BGLKVQQWYUADHO-UHFFFAOYSA-N 447.558 4.608 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1O 1901489038 XDPQYQGRXPLZLP-XMMPIXPASA-N 444.531 4.668 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)ccc2O)C[C@@H]2CCCC[C@H]21 2240957791 NGLREDKWUOZWSY-JCGIZDLHSA-N 439.394 4.813 10 10 IJCE CCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 2293100623 AEZDCXZCJGJRLU-IBGZPJMESA-N 443.546 4.511 10 10 IJCE CCCCCCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 2296930218 HNKATMCHKXLPKE-UHFFFAOYSA-N 445.588 4.897 10 10 IJCE CCN(Cc1ccc(I)c(Br)c1)c1ccc(CN)cc1 2377439787 PPFRGIKZJHLBFY-UHFFFAOYSA-N 445.142 4.539 10 10 IJCE COc1ccc2[nH]cc(CCN/C(C)=C3/C(=O)N(c4nc5ccccc5s4)N=C3C)c2c1 13626446 SLKVBQOLTXZEPA-HYARGMPZSA-N 445.548 4.615 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479731 YHRWLHWQJVJCJD-UZINWLIJSA-N 449.595 4.602 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 20704804 XXIHIYARXAXGGF-DRSNIGMVSA-N 439.899 4.547 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)c1 32964431 DWYRXLRYOIWFBK-SUYASHRRSA-N 439.544 4.956 10 10 IJCE CC1=CN2C(=N)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 103801811 YDXPNPDOQWNZHB-FKMKJHRGSA-N 442.500 4.585 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741212120 GVQDIYPTTJFZLP-RTBURBONSA-N 436.499 4.558 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)cc1 754473770 BGKQKNFSABMKFK-UHFFFAOYSA-N 440.544 4.705 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Br)c(C(F)(F)F)c1 768563185 ZYWHPKBLAKBXIC-UHFFFAOYSA-N 429.236 4.557 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OCC 1858596750 ZNROLFKPMNZMDQ-SPLDHDBSSA-N 437.583 4.575 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1 1872956493 MIJRCDGJEHHIED-UHFFFAOYSA-N 441.531 4.927 10 10 IJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951870468 VVVDNMIBGBBRLY-HSZRJFAPSA-N 447.487 4.788 10 10 IJCE CCN=c1cc(C(=O)C(=O)c2ccc3cc(OCc4ccc(OC)cc4)ccc3c2)cc[nH]1 2059918544 JGRAPZZBTPXIGQ-UHFFFAOYSA-N 440.499 4.742 10 10 IJCE CC(C)(C)c1c(C2(C)CC2)nn(Cc2cccc(F)c2O)c1I 2079798070 WFSHENNTLJOHIR-UHFFFAOYSA-N 428.289 4.730 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]2CC[C@@H]21 2121183939 OLCLSJNHJONJFH-KBMXLJTQSA-N 445.785 4.686 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148939118 OIXADVREVDFAHX-SXLOBPIMSA-N 428.418 4.817 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151262284 PISZNEOHSPADFP-BWTSREIZSA-N 432.381 4.679 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 2293379565 ACHNIBXUEKBROQ-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 2294229094 RYPGBBNCWOMHLF-UHFFFAOYSA-N 443.572 4.796 10 10 IJCE O=C(CN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc(Cl)cc1 2314827809 MUHZSRSJSXNWJF-UHFFFAOYSA-N 427.938 4.661 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1cccnc1 2323766255 RRKGFSCVPSVACC-UHFFFAOYSA-N 441.759 4.605 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccc(OC)cc2)ccc1O 2332094769 FOSNUMNUOCMKBQ-UHFFFAOYSA-N 446.478 4.769 10 10 IJCE CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141428 UVQDIMQBIZAQSE-UHFFFAOYSA-N 427.844 4.606 10 10 IJCE Cc1ccc(CNC[C@@]2(C3CC3)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381134418 CBCLZLONPQSSMG-NRFANRHFSA-N 439.394 4.590 10 10 IJCE Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(O)c1Cc1cccc(Cl)c1 8592926 QPZJHWYJUOWNKY-UHFFFAOYSA-N 441.318 4.571 10 10 IJCE CCOCCOc1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 13641611 HRPQZWBYLPQOAP-BSRJHKFKSA-N 425.525 4.954 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15038148 HDPIJOFSFQFMGI-RGEXLXHISA-N 426.563 4.624 10 10 IJCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 16909826 ZFURNHKJHSXWHO-VIZOYTHASA-N 440.329 4.863 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)ccc1O 16929474 TVCJBBNUZHLIJI-RZNTYIFUSA-N 426.302 4.803 10 10 IJCE CC1CCN(c2ccc(CNC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2)CC1 731048372 KVZCWELXJZIYDY-UHFFFAOYSA-N 443.538 4.954 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1135744683 MMZSQWZXLVJIMZ-UHFFFAOYSA-N 446.473 4.567 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OCC 1858589681 FLUQXPJFZCXKHC-XDHOZWIPSA-N 448.654 4.994 10 10 IJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858596171 OLSOODGINBZQJH-GJVFOCOFSA-N 441.574 4.966 10 10 IJCE CC(C)CNCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1Br 1915158480 CTIQMFMBCILZFE-QHCPKHFHSA-N 431.418 4.972 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)c(O)c1 2078982466 AZHTWPJFZUOJQU-SFHVURJKSA-N 440.325 4.507 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2258759433 DRYWLOJJEBXJRK-NHYWBVRUSA-N 433.774 4.686 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)c1 2296397975 KNBVFKYFERGHOR-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOCCOc3cccc(C)c3)cc2)SC1=S 2297306579 LAXQWIJDNISQSO-UHFFFAOYSA-N 443.590 4.691 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2297468964 OMTUOKPPMFEGKE-UHFFFAOYSA-N 443.532 4.971 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)c(OC)c1 2321647281 DYFFJDRJOXYXEC-UHFFFAOYSA-N 426.519 4.600 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S 2323831984 YNXRHOQDSQZQBG-UHFFFAOYSA-N 443.063 4.681 10 10 IJCE CCOc1ccc(C=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 2326618253 LKDJECKQXPRWPU-UHFFFAOYSA-N 427.456 4.521 10 10 IJCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1Br 2352940715 HJZFQLHUOCLYKH-GJZGRUSLSA-N 427.383 4.588 10 10 IJCE CC[C@@]1(CNCc2ccc(C)c(Br)c2O)CCCN1C(=O)OC(C)(C)C 2352952899 QMNJSKMPXCKHSZ-FQEVSTJZSA-N 427.383 4.732 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(C(=O)NCCN(CC)CC)cc3[C@@H]3C=CC[C@@H]32)cc1 14543860 XJPQDHIQILXNSQ-UMFSSWHCSA-N 433.596 4.983 10 10 IJCE CCCCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 33399297 FLXLUQZBQCTJCE-GDNBJRDFSA-N 435.307 4.642 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)sc2c1 39874902 IHEMIVFINLXYPJ-GDNBJRDFSA-N 445.616 4.896 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)SC1=S 206475779 OUQFAYQSRJBWCZ-XMHGGMMESA-N 429.563 4.783 10 10 IJCE Cc1cncc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C\c3cncc(C)c3)c(C)c2)c1 772164296 JMRBCMBYMAWCAV-OZDSWYPASA-N 426.520 4.730 10 10 IJCE COc1ccccc1/C=C1/SC(=S)N(CNc2cccc(Br)c2)C1=O 1081103589 LIDMAOGHHBUVMF-CXUHLZMHSA-N 435.368 4.729 10 10 IJCE CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)CC2)cc1 1116421437 OSFRVVJPQNQNPT-UHFFFAOYSA-N 449.576 4.670 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1444659981 ASCDUXRQYPIHEI-SAPNQHFASA-N 448.485 4.514 10 10 IJCE CC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)nc1C 1631889479 GIXZGDPYYBZMKC-UHFFFAOYSA-N 440.341 4.693 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1 1860085833 MOSFODJRWPIOAE-MKMNVTDBSA-N 439.287 4.902 10 10 IJCE CCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421522 CCDHXMSAOVEJNO-UHFFFAOYSA-N 441.531 4.899 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 2314932287 LSNZDCWXYUBCCX-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1Br 2352946552 AQGISYRTWFFNDY-IJEWVQPXSA-N 427.383 4.587 10 10 IJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@H](c1cc(Cl)ccc1O)N2 65297990 IARJTKLFUICYOX-HXUWFJFHSA-N 445.922 4.657 10 10 IJCE biogenic CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)cc1OC(C)=O)N2 169689925 RGBNOSSQZDJADT-IMWIBFENSA-N 435.476 4.540 10 10 IJCE CC1CCN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)CC1 211950884 CFSYSDLOVJNVOQ-MRCUWXFGSA-N 436.602 4.807 10 10 IJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)CC3)CC2)cc1 581784721 HBHANOAEIWEXNR-UHFFFAOYSA-N 433.596 4.739 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(N=Nc2ccccc2)ccc1O 1084456236 MDNRELWBGZEJSA-GTNIQYIFSA-N 430.395 4.613 10 10 IJCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1539467828 FIXFUUIYSZTUHJ-UHFFFAOYSA-N 429.442 4.832 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)CC1 1858591374 IQXABBCMZFHXDN-OQLLNIDSSA-N 445.393 4.816 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163315949 BCPQHIADJYRWSA-FDDCHVKYSA-N 428.418 4.961 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2234718875 DPSLUUUYHQIXPX-SZPZYZBQSA-N 428.418 4.802 10 10 IJCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243916162 LHNUDABNTSMDGV-GOSISDBHSA-N 447.539 4.997 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280341173 BMSUPZSABCUJRR-NSHDSACASA-N 445.142 4.710 10 10 IJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2294229030 GWSNLKFSYGTTAJ-UHFFFAOYSA-N 426.856 4.570 10 10 IJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)c1C 2297317085 RPLWLSVFMDJONG-UHFFFAOYSA-N 426.929 4.923 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCC(C)C 2314761867 YYTXWQHUSVYHOI-UHFFFAOYSA-N 437.583 4.576 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)cc1 2321591088 UPJRDJJVNNAJDL-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]2CC=C[C@H]32)CC1 14476005 IOEGDKLRBYRHNF-ROMRWMGNSA-N 433.508 4.999 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705901366 QLJWYUANGWWLEJ-ZQMYSKGWSA-N 429.402 4.851 10 10 IJCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1CCc1ccccc1 729523247 KIPIDPLBHITZDW-UHFFFAOYSA-N 432.539 4.502 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2c(O)cccc2Br)CC1 1474300213 USZHTTXOSTZFBT-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE CCN(CC)c1ccc([C@@H](NC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764249 JSXZDTWPDTZPDR-BJKOFHAPSA-N 441.616 4.903 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2168791529 PIWQWYWDLTUGRV-HOJAQTOUSA-N 428.418 4.688 10 10 IJCE CC[C@H](NCC1(F)CC(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2172277414 FSHHARRXCLGRIV-FOCKTWCOSA-N 445.373 4.838 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 2295916673 ZFHSIWTXKGLEKW-UHFFFAOYSA-N 426.563 4.575 10 10 IJCE CCCCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2CCO)SC1=S 34703082 GXJGDBUMSLUWNF-NFKAIRTRSA-N 427.016 4.630 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1 210695813 SIZDDKZVWRTIER-LFIBNONCSA-N 436.480 4.935 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058967 SIPROZNIZAWARD-XJABCFGWSA-N 429.402 4.993 10 10 IJCE O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 761987304 NWZMDDBPMGELLQ-ATVHPVEESA-N 442.840 4.578 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1 1865679766 FQCRYEXRUJXWSE-HZHRSRAPSA-N 427.460 4.742 10 10 IJCE CCOC(=O)c1c(NC(=O)CCc2ccc(=N)[nH]c2)sc(C)c1-c1ccc(Cl)cc1 1866140382 YGUWHORZLJURON-UHFFFAOYSA-N 443.956 4.932 10 10 IJCE CC(C)c1nc2ccccc2n1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179360 AITHMVFCKYIJMH-UHFFFAOYSA-N 437.499 4.964 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(C)c1O 1901487592 HXJSVJGUPSZIFM-XMMPIXPASA-N 444.531 4.634 10 10 IJCE Cc1cccc(O)c1CNCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1958793657 MUDWXGLURIPJPR-UHFFFAOYSA-N 432.520 4.651 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC 2040483677 DVFUBLOEICPFOG-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CCN1C(=O)C(=Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)SC1=S 2042453629 URUDPOAXFWABDC-UHFFFAOYSA-N 437.340 4.516 10 10 IJCE CN[C@@H](c1ccccc1O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401629 ZUKQTKFDZBILQN-HKUYNNGSSA-N 435.362 4.551 10 10 IJCE CCN1C(=O)C(=Cc2ccccc2OCCOCCOc2ccc(C)cc2)SC1=S 2293215381 GKFJADSTPBXHMZ-UHFFFAOYSA-N 443.590 4.691 10 10 IJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 2296398164 XVAXPALMLZIHRB-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 2297317061 DHQNWBXXLQVYDG-UHFFFAOYSA-N 426.929 4.923 10 10 IJCE CCN1C(=O)C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 2313533011 KLODLSWQFABAOT-UHFFFAOYSA-N 431.451 4.516 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)O 2314933324 VDNMQGAJNDRXSJ-CQSZACIVSA-N 443.546 4.570 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 2332134488 BZEWWOXNULTANE-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467321 FAEBHKGRLFQBOA-CKFHNAJUSA-N 439.364 4.776 10 10 IJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@@H]21 14478042 BWYMFACPNALWJW-IUKKYPGJSA-N 439.537 4.596 10 10 IJCE COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1 16926509 HDKWSCIBRHCFDE-SDXDJHTJSA-N 449.594 4.880 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O 33339852 YKFHHFLMIQNQAY-OAPQASQTSA-N 429.592 4.628 10 10 IJCE COc1ccc(C)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687755166 RZXPXHDCCJSLDW-NRFANRHFSA-N 447.487 4.764 10 10 IJCE CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(NC(=O)/C=C\c2cncc(C)c2)cc1 772144558 YCUWFIAKKPSMJS-CBIKUMSCSA-N 426.520 4.812 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1O 1658593032 BGQZXJIDKOFABJ-UHFFFAOYSA-N 430.829 4.728 10 10 IJCE Cc1cc(=O)c(OCc2ccc(Br)cc2)cn1CCCOc1ccc(N)cc1 1857916262 MARRUFKZZFSHOH-UHFFFAOYSA-N 443.341 4.550 10 10 IJCE CCOc1cc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc(Br)c1O 1865667253 MZINPYDOYUQPGS-YVLHZVERSA-N 443.341 4.839 10 10 IJCE COC(=O)c1c(NC(=O)[C@@H](N)Cc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866005736 XOHVBUGMARGJFC-IBGZPJMESA-N 440.540 4.775 10 10 IJCE COC(=O)c1c(NC(=O)c2cccn2C)sc(C)c1-c1ccc(Br)cc1 1866110711 ZKMXHVIZCSXKOV-UHFFFAOYSA-N 433.327 4.863 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2078980699 IPZSNTQOZDGMPK-KRWDZBQOSA-N 438.309 4.827 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079037954 RWZBXKZOWQCKSJ-AWEZNQCLSA-N 447.251 4.855 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080002977 GHLXCBJLIMSKSB-SFHVURJKSA-N 437.334 4.659 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOCCOc3ccc(C)cc3)cc2)SC1=S 2293656490 HADYNTRILZRHBU-UHFFFAOYSA-N 443.590 4.691 10 10 IJCE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)C(=O)N=C2SC=CN12 2297364533 MDYXJLMFOJRJOK-UHFFFAOYSA-N 444.299 4.989 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1 14463930 DZWFCMAGOOXVNO-POGFHVCPSA-N 446.572 4.687 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1C(F)(F)F 210672088 HIHHLCKEDNCRGZ-OQLLNIDSSA-N 440.443 4.684 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(O)c1 526297535 RHIBBRVCKGCAEZ-QFIPXVFZSA-N 433.460 4.562 10 10 IJCE CC(C)(C)OC(=O)NCc1cccnc1NCc1cc(Cl)cc(Br)c1O 1178741299 AXPMXGGNFKFMAS-UHFFFAOYSA-N 442.741 4.840 10 10 IJCE Brc1cc(CNCCN2CCc3sccc3C2)ccc1N1CCCCC1 1648927412 UEPSGIQIAQEJSE-UHFFFAOYSA-N 434.447 4.649 10 10 IJCE CC(C)(C)c1c(C2CCC2)nn(Cc2c(O)cccc2F)c1I 2079790445 JSQYCXIKEFPMEN-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 2297335422 XNAUNWSVHNXHHQ-UHFFFAOYSA-N 449.981 4.912 10 10 IJCE COc1ccc2[nH]cc(CCNC(C)=C3C(=O)N(c4nc5ccccc5s4)N=C3C)c2c1 2297471363 SLKVBQOLTXZEPA-UHFFFAOYSA-N 445.548 4.615 10 10 IJCE CCN(CC)C(=O)CCCN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2297580238 IQAUCPMVIKPSKP-UHFFFAOYSA-N 430.517 4.555 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134789 KVUAFWINCFSYSI-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE COc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1OC 2332140102 CCCLFUVRRHBSLQ-UHFFFAOYSA-N 442.796 4.840 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=S 19897996 KIAUKQCFOJCAPG-GDNBJRDFSA-N 449.351 4.640 10 10 IJCE CC[C@H](N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 397828356 XPOSYGATXUISHA-UAGQMJEPSA-N 427.383 4.887 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1cc(Cl)cc(Br)c1O 708168390 BOGKLOUSUBOGFV-HNNXBMFYSA-N 445.785 4.687 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(CNC3CC3)c(Br)c2)CC1 717615384 QGHWWGCSTCEGEF-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]c2cc(Cl)ccc12 726982106 KJCAUDSTDJEKBI-UHFFFAOYSA-N 437.849 4.607 10 10 IJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 727402972 OIHDVVCIGAAXKD-UHFFFAOYSA-N 439.943 4.684 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1460661502 YJLPFYPFXDKSNI-MRXNPFEDSA-N 444.959 4.952 10 10 IJCE CCCCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C 1643427326 OJJLPLKEANOKGB-UHFFFAOYSA-N 430.599 4.888 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc(OC)c1O 1865679931 NPFPYSKFUXHSLE-NDENLUEZSA-N 448.906 4.893 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(F)ccc3[nH]2)sc(C)c1-c1ccccc1 1866482365 WBFAKXHOAFGPAF-UHFFFAOYSA-N 436.464 4.743 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc2nsnc12 1892064397 YFZYPIIGLNWCSZ-UHFFFAOYSA-N 443.362 4.922 10 10 IJCE CC1(c2nn(Cc3c(O)cccc3Cl)c(I)c2C2CC2)CC1 2079797946 SZWVXZXIIWXCTR-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2099669632 LCHMSVCZNKUUPP-OSMBCOQSSA-N 425.367 4.593 10 10 IJCE CC[C@H](NC[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2200855877 DCARNKUFJCRLOR-XXHMAFKTSA-N 439.394 4.843 10 10 IJCE CC[C@H](NC[C@H]1CC1(Br)Br)c1cc(Br)ccc1O 2217996809 LZBDLNOFLFXKJD-KCJUWKMLSA-N 441.989 4.701 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297469967 SLTFKXSYUSQRFE-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccn1-c1ccccc1 2313543609 URNJQZRLIXXDBF-UHFFFAOYSA-N 442.327 4.615 10 10 IJCE CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469133 XRCZNYLOLYGZOV-FRALIIAYSA-N 434.536 4.975 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)O)cc1Br 382627391 UZFLLZOQRPISJU-QXLXQBSBSA-N 429.358 4.648 10 10 IJCE C[C@@H](Nc1ccc(I)c(Br)c1)c1c(O)cccc1O 388459969 ASIWWDUXPFIIEB-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE C[C@@H]1CN(c2ccc(CN[C@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2F)C[C@@H](C)O1 756422979 PNVWUVNDOMWTCB-HOZJOUCCSA-N 442.966 4.705 10 10 IJCE O=C1CCN1c1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 798346559 JRZRNYFCLWQLQB-QFIPXVFZSA-N 439.475 4.583 10 10 IJCE CC(=O)N[C@@](C)(C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)C(C)C 1124853442 RPOGLGTWCUDYEV-HSZRJFAPSA-N 442.560 4.846 10 10 IJCE O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1 1860824999 HVKPEPRRPGVNTE-OQLLNIDSSA-N 434.336 4.549 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2nccn2C)cc1 1865940220 UBNFWWSKBLOBFM-DEOSSOPVSA-N 426.520 4.798 10 10 IJCE CCOC(=O)c1c(NC(=O)CCCCN)sc(C)c1-c1ccc(Br)cc1 1866097913 VZARRJFFTFUQDT-UHFFFAOYSA-N 439.375 4.730 10 10 IJCE CCCCOc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871112855 XFKQWKQFNICDSO-UHFFFAOYSA-N 434.584 4.945 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873166893 KCFCJHOHHPCNSD-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2cc(Br)cc(F)c2O)C1 1966030501 UGGNRHFAPLQCDG-CQSZACIVSA-N 445.373 4.667 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 2293024317 QWPPRUVJKXHWCL-UHFFFAOYSA-N 443.546 4.978 10 10 IJCE Cc1cc(-c2ccc(C=C3C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 2297327452 OOPIEWKXPZBABX-UHFFFAOYSA-N 437.839 4.586 10 10 IJCE Cc1ccc(CNCC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352694654 WLUVIILNIZLMNV-ZBFHGGJFSA-N 427.383 4.636 10 10 IJCE CCN(Cc1ccc(N)cc1)Cc1ccc(I)c(Br)c1 2377266361 NILBKTWGDUHWFF-UHFFFAOYSA-N 445.142 4.658 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(O)=NC2=S)cc1 33316202 ZTKZDPZZQLIUTQ-QNGOZBTKSA-N 430.533 4.523 10 10 IJCE O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 33568313 MRXLZHSIWVGLKV-JYRVWZFOSA-N 428.318 4.929 10 10 IJCE COCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C)CC2)SC1=S 38732373 UKIZMCIHXUPCMO-HKWRFOASSA-N 441.622 4.709 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1 226705821 DZWFCMAGOOXVNO-VIICAESSSA-N 446.572 4.687 10 10 IJCE C[C@@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O 756552459 FRAVOGCEKNAYKF-OLZOCXBDSA-N 431.346 4.592 10 10 IJCE Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c1C 1084502787 WCTMDQBLELGWRV-MTJSOVHGSA-N 447.535 4.681 10 10 IJCE Brc1cccc(-n2ncc3c(NCCCSc4nccs4)ncnc32)c1 1162438510 YJYYRKHBUNTHOA-UHFFFAOYSA-N 447.387 4.629 10 10 IJCE CC(C)(C)OC(=O)Nc1nc(CNCc2cc(Cl)cc(Br)c2O)cs1 1462644552 WXAPTUMZMGLHML-UHFFFAOYSA-N 448.770 4.901 10 10 IJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H]1C(=C)C 1705478361 AFTYCGUDGUUUNF-SWHJIRTISA-N 443.595 4.792 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1984694955 NWCBTADOETWSMA-HXOBKFHXSA-N 447.539 4.851 10 10 IJCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1999527738 RHQNMIVBDSZDOA-GOTSBHOMSA-N 427.589 4.513 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 2296398020 NQICBTGYFICFKT-UHFFFAOYSA-N 441.531 4.940 10 10 IJCE O=C1C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1 2297350938 QRBCWLRVHMPRDT-UHFFFAOYSA-N 425.466 4.930 10 10 IJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 2297469999 VLDLWKORMSPYQF-UHFFFAOYSA-N 435.553 4.768 10 10 IJCE O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1 1151115 QRBCWLRVHMPRDT-PDGQHHTCSA-N 425.466 4.930 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc1 14461816 GEENEKORTDYGQL-FBLLAGFSSA-N 431.580 4.832 10 10 IJCE CCN1/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)Sc2ccc(OC)cc21 16157857 QKCUOTCPOOGMLU-HTXNQAPBSA-N 430.576 4.870 10 10 IJCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cn(C)c4ccccc34)C2=O)ccc1Br 33323195 ILCMMRKHZIIMGX-YBEGLDIGSA-N 438.281 4.756 10 10 IJCE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OC)c1 101379897 OQPZFDDTQGUCIY-HYARGMPZSA-N 449.547 4.993 10 10 IJCE Cn1cccc1[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 746761824 OHPNBKLBYBUJIC-OAQYLSRUSA-N 432.515 4.532 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)[C@@H]1C[C@H]1C 1624790017 ZCWFOZXVENMFGL-WGDIFIGCSA-N 443.547 4.849 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3-n3c(C)ccc3C)c2C)C1=O 1636426218 PZVKCQZOZYNJAD-UHFFFAOYSA-N 444.535 4.752 10 10 IJCE C1=CCN(c2nnc(CCCc3ccccc3)n2CCCSc2nccs2)CC1 1690217670 PRBPKXSVSNXTFM-UHFFFAOYSA-N 425.627 4.859 10 10 IJCE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccn(C)n1 1705711090 AFUREYXCGGAUFD-UHFFFAOYSA-N 429.572 4.537 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858586917 KMHVZPBWCQNKOI-GXDHUFHOSA-N 430.389 4.945 10 10 IJCE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684956 VSNJMPMNXOTWNM-AWEZNQCLSA-N 440.887 4.643 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675570 OHLSPYQGBINPDS-FYJGNVAPSA-N 448.906 4.893 10 10 IJCE CCOC(=O)c1c(NC(=O)CCC(=O)Nc2ccc(F)cc2)sc2c1CC[C@H](C)C2 1865900453 NYQJSUOBWRFBDN-ZDUSSCGKSA-N 432.517 4.546 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873167291 ZSDSWXOCKPQUNG-WZONZLPQSA-N 433.596 4.998 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1901482587 JEQJEWZICQUOED-GAJHUEQPSA-N 447.539 4.853 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(N)c1I 2079998287 OZELLCAJLFIUDV-AWEZNQCLSA-N 425.314 4.659 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1cc(C)ccc1C 2297347275 CSUNIYQUWGCKTL-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352952733 PSMWOQPDXKOYHG-GOEBONIOSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN(C)C(=O)CCC[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1Br 2381135265 OAXNJERSQOGYKA-CQSZACIVSA-N 443.382 4.505 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 14469551 QLCIFXRDEDEWDD-WRALFONMSA-N 432.545 4.740 10 10 IJCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 23156313 KSFVVIDJEGSEPR-UHFFFAOYSA-N 442.485 4.779 10 10 IJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 33332251 XZOKBYBJEHKFAE-NDENLUEZSA-N 448.906 4.697 10 10 IJCE CCN(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586672258 HPINWHKIUCIPFI-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE CCCc1ccc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)cc2)cc1 735586694 YJTIJAUNRGIABE-QGZVFWFLSA-N 432.520 4.836 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1705547458 SJFAQSAQCWZSTN-IRLDBZIGSA-N 444.627 4.542 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(C)[nH]n2)sc(C)c1-c1ccc(Br)cc1 1866051202 RGXIGPWZZCALFG-UHFFFAOYSA-N 434.315 4.556 10 10 IJCE CC[C@H](N[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918991841 LMCRKCZLXJQIGL-FUHWJXTLSA-N 439.394 4.985 10 10 IJCE CCCN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1942390884 MUMARGXCYWGTIQ-OFAXGOBFSA-N 428.573 4.932 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CC(=O)O)c(Br)c1 2143511022 WDYRYCWZXZZTCI-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE C[C@@]1(C2CC2)CN(c2ccc(CN)c(Br)c2F)CCN1Cc1ccccc1 2151082946 ZOTINDPLISTKEB-QFIPXVFZSA-N 432.381 4.538 10 10 IJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 2294131003 SBTXAVVRANETQA-UHFFFAOYSA-N 435.524 4.675 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 2296837792 DCKNCBINJDHCQH-UHFFFAOYSA-N 447.843 4.905 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2297310421 UJFQDBUSBDSILN-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2321706202 MZUAMIKCZFVPJT-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2354682764 ZFNCTYKRCMYPFI-IGISWZIWSA-N 439.394 4.887 10 10 IJCE Cc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(O)c1Br 2381131349 MITYBSWWQBYHQP-HXUWFJFHSA-N 429.402 4.855 10 10 IJCE CC[C@H](CCCC(=O)NCc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2381139038 ZORIBCIVOVHTTA-OAHLLOKOSA-N 443.382 4.553 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639988 OQJKXQBPKCVLBP-YDIMBITNSA-N 442.581 4.735 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 20071329 SFCZNIANLAOCEM-PXDATVDWSA-N 432.476 4.660 10 10 IJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@H](C)CC(C)C)c4ccccc4n3)CC2)cc1 23334971 ONTNIWNVAJUITK-HXUWFJFHSA-N 446.595 4.734 10 10 IJCE CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3\C(=N)N4C=CSC4=NC3=O)c2)cc1 33333368 SQDDYLPVGJRYNV-QCYUAWMTSA-N 431.517 4.980 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(OCC)c1 33400534 HFRWKWRVXDSSCW-YVLHZVERSA-N 430.913 4.809 10 10 IJCE Cc1cccc(OCCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 34798914 CFLLXQSZSXGKGU-CJLVFECKSA-N 447.466 4.911 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc2c1C(=O)c1ccccc1C2=O 103993727 FETWZXOUMJVCKK-DEDYPNTBSA-N 441.874 4.834 10 10 IJCE COCCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S 208283852 OCOVXGFWKAEHEO-XSFVSMFZSA-N 441.622 4.627 10 10 IJCE Brc1cc(CN[C@@H]2CCOC3(CCSCC3)C2)ccc1N1CCCCC1 1661975279 JUWDFPCVBKNUBL-GOSISDBHSA-N 439.463 4.974 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677641 VHVAEUXXMASQQM-PXLXIMEGSA-N 428.488 4.543 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 1962885150 UMWMQXNLIUELNM-WFASDCNBSA-N 447.801 4.981 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080004136 WMECHOKGDMHSBR-KRWDZBQOSA-N 434.378 4.754 10 10 IJCE CC[C@H](C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 2240043986 NOYSSXXYTKAAHJ-WMQCIHAUSA-N 428.418 4.800 10 10 IJCE N=C1C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12 2297346897 WZARZCDKLIEJMQ-UHFFFAOYSA-N 441.472 4.690 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2328956703 IKVTXPVFDBODJC-DZUCGIPZSA-N 425.367 4.593 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc(Br)c1O 2332110908 PLXICXPSDRFMBZ-UHFFFAOYSA-N 445.313 4.758 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 15035735 PAIQTMAHISTTCX-NVNXTCNLSA-N 440.443 4.684 10 10 IJCE Cc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 33713765 COISQBPDWDEHLS-RGVLZGJSSA-N 426.303 4.862 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226635228 MBAJXEBXRJMMAI-IMWIBFENSA-N 440.565 4.535 10 10 IJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)c1 245310802 KTCDYIGBJPZNQM-CPJSRVTESA-N 432.476 4.660 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 303427252 CFRJHLJIOAIKLB-UHFFFAOYSA-N 438.474 4.866 10 10 IJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1O 687755791 ADORAKPDMIAUAO-RUZDIDTESA-N 435.451 4.760 10 10 IJCE CC[C@@H](NCc1cc(C)cc(Br)c1O)[C@H](c1ccc(C)cc1)n1cncn1 781637954 ZVGUUDBQUVMERG-UXHICEINSA-N 429.362 4.521 10 10 IJCE CCn1c(O)nc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)ccc21 1634027011 LXWCHTONTLKUIC-OAHLLOKOSA-N 426.948 4.582 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c1 1860085386 HXESQXOADCVXMJ-RQZCQDPDSA-N 449.937 4.550 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)cc2F)sc(C)c1-c1ccccc1 1860745718 DXCFJQJQTYTOMG-UHFFFAOYSA-N 440.496 4.925 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1csc(Br)c1 1881481643 BHMYJUFRTMWZJL-INIZCTEOSA-N 440.407 4.672 10 10 IJCE COc1cccc(Cn2nc(C3CCC3)c(C(C)C)c2I)c1O 2079742248 LOGJOJQFHDHKSN-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)cc1Br 2151080440 RMOGLGUTILRVTO-HSZRJFAPSA-N 428.418 4.659 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)CCC12CCC2 2225555231 JZEMMOWAORQISW-INIZCTEOSA-N 425.367 4.567 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 2323886781 SUACDNFFLSYZDE-LJQANCHMSA-N 439.562 4.633 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccc(C)cc2)N=C1c1ccccc1 2332141254 PNZGOKNLZMZFOM-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1 20697226 PXWIPSUJTYSWJM-PLXFJCCSSA-N 444.623 4.747 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccccc1F 103750031 CELJEQLYVNBEGN-ZMXGXFJXSA-N 437.496 4.970 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OCC 206706250 JGPQQNGDWRRGLG-NBVRZTHBSA-N 437.583 4.720 10 10 IJCE CC[C@@H](C)NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586608767 JMNGMYZHEJTXAY-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE O=C(NCCc1ccccc1Br)N(Cc1ccco1)Cc1ccccc1O 726250444 WXJYJCINMZOWJZ-UHFFFAOYSA-N 429.314 4.702 10 10 IJCE Cn1ccc([C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccc(F)cc2)n1 775628585 CRMQAPMNGFASGS-AVRDEDQJSA-N 430.474 4.509 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC23CCN(C(=O)OCc2ccccc2)CC3)c1O 1308096097 XNALXYSJGLPMHZ-UHFFFAOYSA-N 442.943 4.625 10 10 IJCE CC[C@@H](C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 2240085398 IURYBNCQHYQURN-YHYVQYDKSA-N 428.418 4.800 10 10 IJCE COc1ccc(CNCc2cccc(Br)c2O)cc1NC(=O)OC(C)(C)C 2284158798 NWIIGTYFBGLYSP-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 2294204934 VOGXHOXMOYGUMP-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE CCC(=S)C=C1Sc2cc(OC)c3ccsc3c2N1CCCS(=O)(=O)O 2297727392 MCUSHSFDXZTKOD-UHFFFAOYSA-N 429.610 4.721 10 10 IJCE CC(C)N(C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1cccc2c1C(=O)c1ccccc1C2=O 2329480906 OVNOGHQHUXUZQX-UHFFFAOYSA-N 446.484 4.887 10 10 IJCE COc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1O 2332124670 BZHYQEZNGMVCQZ-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)ccc1C 2977714 NCFUUZFRVVUOJQ-KGENOOAVSA-N 443.590 4.991 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21 20701829 GLGDCFZKBKRYGZ-KPHUOKFYSA-N 433.335 4.902 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4cc(C)ccc4C)c3)C(=O)N=C2S1 27549513 MKPRBKBEXQDZNC-NLEVOZIKSA-N 448.548 4.790 10 10 IJCE Cc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 39919431 KIASUZVBTAYFQS-QFIPXVFZSA-N 434.927 4.626 10 10 IJCE CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 71448778 BMVHGOVSTOMPNV-UHFFFAOYSA-N 429.863 4.578 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1 103919982 GCLWBGBOLZBLCK-YBFXNURJSA-N 436.270 4.784 10 10 IJCE CC[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 401719210 AFTXNKCJTHUUIF-JSGCOSHPSA-N 441.288 4.651 10 10 IJCE C[C@@H]1[C@H](NCc2cc(Br)cc(F)c2O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 715761888 VVFCSBPGMHBQFN-MDNXKNQGSA-N 443.357 4.560 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1O 1560172432 WUFSSTLHGBYQIS-INIZCTEOSA-N 428.504 4.753 10 10 IJCE O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2ccc(C(F)(F)F)cc2nc1O 1629136654 HJMBZASIKUKJGC-UHFFFAOYSA-N 431.197 4.902 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)c1 1860086789 HLPBCBZVKAJZBT-XDHOZWIPSA-N 443.546 4.675 10 10 IJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c(C)c1 1860344712 AIPIPBFRVLLCOT-UHFFFAOYSA-N 448.526 4.830 10 10 IJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C(C)C 2079600017 NXFHRVBENDSDGI-UHFFFAOYSA-N 449.130 4.690 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(N)c2I)cc1C 2080041239 BILXKNUCOTZNNO-MRXNPFEDSA-N 439.341 4.689 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(Br)cc2O)CC12CCCC2 2098979854 OOPGEHDWSISHDZ-MRXNPFEDSA-N 425.367 4.567 10 10 IJCE Cc1cccc(OCCOc2ccccc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297307163 OFICWQGIDQSADK-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE Cc1cc(C)c(COc2ccc(C=C3SC(=S)N(CCC(=O)O)C3=O)cc2)cc1C 2314770161 ZVXSSMOPZMCCTD-UHFFFAOYSA-N 441.574 4.867 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)ccc1O 2321719992 ANBJNNHCPIYCBU-UHFFFAOYSA-N 443.546 4.762 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1Br 2352953137 SRSWTWDZFFPQGF-DUVNUKRYSA-N 427.383 4.587 10 10 IJCE CCCNCc1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1Br 382756374 OUTJQACIQUCITQ-HXUWFJFHSA-N 430.434 4.907 10 10 IJCE CC[C@H](NCCC1(CNC(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 404667582 BCZGAEQBMRZCBU-INIZCTEOSA-N 427.383 4.890 10 10 IJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(CC)cc1 586240309 TUUIBGARAQKIAC-UHFFFAOYSA-N 433.529 4.630 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCc1cc(Br)cc(F)c1O 715815725 ZMTULROKHVTIHW-HOTGVXAUSA-N 431.346 4.609 10 10 IJCE CC[C@@H](N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 1912306037 DWXXQYDYJQDETN-JFOHDYCDSA-N 425.367 4.593 10 10 IJCE Oc1c(Br)cccc1CNCc1c(Br)cccc1Br 2094134575 SNAZLLLBIZEFRC-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 2296167003 MNPJKTMDXXDGBM-UHFFFAOYSA-N 429.545 4.542 10 10 IJCE CN(C)c1ccc(C=C2SC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 2297449352 RKTKXGDDEHSCQW-UHFFFAOYSA-N 447.354 4.630 10 10 IJCE CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)SC1=S 2313507381 IZQWLPBEXDAKMR-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C)c(Br)c1O 2381136461 GNTLJQNGJCNASM-SJORKVTESA-N 441.410 4.978 10 10 IJCE Cc1ccc(CN[C@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2381137651 IVEDHNHOUYAJOU-INIZCTEOSA-N 439.394 4.732 10 10 IJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c(O)c1Br 2381138903 QVYBJQYGHFVQLF-INIZCTEOSA-N 441.410 4.836 10 10 IJCE COc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3cc(C)ccc3O)C[C@@H]21 20071095 XXRRSQTXBDQUFM-FNZWTVRRSA-N 446.503 4.969 10 10 IJCE Cc1ccnc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c1 33436435 QIAHCGBAFBEUTC-NDENLUEZSA-N 448.504 4.942 10 10 IJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S 33686959 XAAPVZCFVNILSW-XHHLPPORSA-N 439.558 4.543 10 10 IJCE Cc1ccccc1OCCOc1cccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 35077999 DVNQUBOGEXFGFG-JNCKMBBWSA-N 448.548 4.728 10 10 IJCE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2)c1C 103703962 ASWWIXRVPNAXRP-NCNWTYLVSA-N 433.533 4.928 10 10 IJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccccc2OC(F)F)cc1 206427013 GEVFDQXPTNSEQS-YXAHYSCSSA-N 430.495 4.575 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)C12CCCC2 706872692 OPZAQAWIUYDFIL-QGZVFWFLSA-N 425.367 4.567 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1Br 719372440 QWJLWJLPMWHNSO-IHPCNDPISA-N 428.418 4.688 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(C4CCCCC4)CCCCC3)cc2)CC1 1447715134 UVNFOHWGZUBTQB-UHFFFAOYSA-N 425.617 4.502 10 10 IJCE Brc1cc(CNCc2ccc(Cn3cccn3)cc2)ccc1N1CCCCC1 1560245744 PNYDHTGUFKFMBV-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE C/C(=C/C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 1583379218 OPSZMVPDEQWSDT-UVTDQMKNSA-N 440.412 4.540 10 10 IJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)cc2C1=O 1865898444 XVRPMGNFBGOEMI-INIZCTEOSA-N 427.504 4.506 10 10 IJCE CCOC(=O)CCCOc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870794568 WJHJQYFXFQBPPS-UHFFFAOYSA-N 449.551 4.946 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2087518849 FWCLZOJYPSUBLC-WBMJQRKESA-N 447.801 4.981 10 10 IJCE COc1ccc(Br)c(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)c1O 2236051480 UCBNUNGPASNOAK-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2c(O)cccc2Br)CC1 2277881892 VAASWXDUXKFQKJ-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 2314735863 HDOKSRJPFCTDJP-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 2318753421 XIFCJFLBVLJEDD-UHFFFAOYSA-N 439.287 4.902 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(OCCNCc2c(O)cccc2Br)cc1 706842454 KRPNUZLKSGLNOA-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1 1084392046 SCJUHHJIZWIPGC-UUYOSTAYSA-N 431.467 4.516 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccccc2F)sc(C)c1-c1ccc(C)cc1 1860748725 JCZZZVPXHNVBBG-UHFFFAOYSA-N 426.469 4.535 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2c(O)cccc2Br)CC12CCCC2 2098978342 IJSVCCQDPOJKKS-AWEZNQCLSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NCc3c(O)cccc3Br)C2)CC1 2155242670 NNMFELBYWRHZTI-OAHLLOKOSA-N 439.394 4.814 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2NCc2cccc(Br)c2O)C1 2156251748 QKDHLMFQFHDGRT-UWJYYQICSA-N 439.394 4.814 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 2293104169 LPJDDBGMZXMJDQ-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE O=C(NN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S)c1ccccc1 2314735850 GUBPVGPMZGIYAC-UHFFFAOYSA-N 446.553 4.812 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S 2314769520 RLXRQXQGYNKCAB-HXUWFJFHSA-N 441.574 4.979 10 10 IJCE COc1cc(N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)c(OC)cc1Cl 2321629433 QGJDIHYPIUTHHX-UHFFFAOYSA-N 445.953 4.719 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccc(N(C)C)cc2)cc1 2332096572 WGTQRUMUKVSCNB-UHFFFAOYSA-N 427.504 4.604 10 10 IJCE CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc(Br)c(O)c(OC)c1 2332107463 GXWAITKIJSLLRD-UHFFFAOYSA-N 443.341 4.972 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1C 8835935 HXPVXQCKYRPJCG-IWIPYMOSSA-N 449.510 4.973 10 10 IJCE CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 10912949 XHZVXEMUFURDCI-VWLOTQADSA-N 445.540 4.609 10 10 IJCE Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(C)C)cc3)SC2=S)cc1 40940598 UTBIOLSDWDERNP-XSFVSMFZSA-N 440.590 4.966 10 10 IJCE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1cc(Cl)ccc1O)N2 65298074 VXEQNYAHKJLKLC-QFIPXVFZSA-N 425.960 4.525 10 10 IJCE biogenic O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/C(Cl)=C/c1ccccc1 135744525 BDSFDYJKSPUQOL-KIYPBSQKSA-N 427.932 4.741 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)CC1 708125011 LFNVJNPJZIQOEV-OKILXGFUSA-N 433.774 4.734 10 10 IJCE Cc1cc(CCNC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c(C)n1-c1ccccc1 745391400 NICJXXQMYUPQGL-UHFFFAOYSA-N 427.552 4.772 10 10 IJCE Cn1ccnc1C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1 745910110 BIGKPGJKUFSDDY-HSZRJFAPSA-N 432.568 4.954 10 10 IJCE Cn1ccc2c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc21 1951566687 AFHYHXPKXITQMD-QHCPKHFHSA-N 440.499 4.885 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl 1951856871 BHWTVIWULBIIJK-SFHVURJKSA-N 432.687 4.969 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(CNCc3cc(Br)cc(F)c3O)CCC[C@@H]12 2143589866 FESWIUONSBKAJI-UZLBHIALSA-N 443.357 4.563 10 10 IJCE O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCOCC2)c(Br)c1 2152167118 FEYTYUMHDQRYPY-UHFFFAOYSA-N 430.342 4.980 10 10 IJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 2294095278 NGDAMMOUBBFTKW-OAHLLOKOSA-N 426.900 4.801 10 10 IJCE N=C1C(=Cc2cccn2-c2cccc(Cl)c2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 2297346808 HUKSQCGLSDZBMT-UHFFFAOYSA-N 449.898 4.937 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1 2321591089 USSMJQFIUKTGRG-UHFFFAOYSA-N 434.520 4.629 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S 2323865984 CGDIIIOMALCWRU-HNNXBMFYSA-N 438.357 4.891 10 10 IJCE O=C1C(=Cc2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1ccccc1F 2332098155 VCAAMQJJRBTXCM-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2352940639 GNUBRYSZSLMORQ-HNNXBMFYSA-N 427.383 4.731 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 33330324 RCMNXFIDSYWFIK-CPNJWEJPSA-N 426.563 4.542 10 10 IJCE CCCN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 380479452 KRAFCRMWPIAFKI-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE CC[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586622879 LYIVVBIIRDYVBQ-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE C[C@@H](N)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705967974 PGTWHLZGSVPIRI-NLSFWIRASA-N 428.418 4.817 10 10 IJCE Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3nc(-c4ccc(O)c(O)c4)cs3)c12 752627749 BTCYLJGGMQRXPG-UHFFFAOYSA-N 433.493 4.968 10 10 IJCE O=C(NCCc1ccc(O)c(O)c1)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 1860379413 YKCYTDUMTHUYCP-UHFFFAOYSA-N 439.924 4.638 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)sc(C)c1-c1ccc(C)cc1 1865941307 NWGQZMNWNSVNTP-UHFFFAOYSA-N 448.544 4.980 10 10 IJCE Cc1ccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1868167878 FDWGGDDIQVLOTJ-UHFFFAOYSA-N 436.467 4.915 10 10 IJCE C[C@H](NCCCONC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1937210897 YIQTWGDZIXYHKS-KRWDZBQOSA-N 448.519 4.609 10 10 IJCE C[C@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 2042391250 OCLPWECFWBDLKY-RYUDHWBXSA-N 433.774 4.543 10 10 IJCE CC[C@@H](NCCC1(C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2123282925 MSXDLFXXHTXYCD-MRXNPFEDSA-N 427.383 4.843 10 10 IJCE CN[C@H](C)c1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2153347695 MLDLTJKVVOVJHE-GOSISDBHSA-N 428.418 4.974 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21)N1CCOCC1 14473003 WPEGNHQGXCLIEN-JLDZCNIISA-N 439.899 4.547 10 10 IJCE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)o1 33330872 SVVUJFQFACELKQ-UYRXBGFRSA-N 430.416 4.548 10 10 IJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)o1 33342715 KJTKSYVQLRZGKR-PDGQHHTCSA-N 447.403 4.679 10 10 IJCE CC(C)c1ccccc1N/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 103118980 JTMIFHFQJDBHDA-LFIBNONCSA-N 428.286 4.992 10 10 IJCE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cc(C)ccc4C)c3)C(=O)N=C2S1 103564416 MKPRBKBEXQDZNC-ZQFCNSAKSA-N 448.548 4.790 10 10 IJCE Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1NC(=O)c1cccs1 758726463 XPALEUBBWQRKPT-SFHVURJKSA-N 449.576 4.636 10 10 IJCE Brc1cc(CN2CC[C@H](OCc3ccccn3)C2)ccc1N1CCCCC1 1665325606 KMNSIVFODYJSNH-FQEVSTJZSA-N 430.390 4.626 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4c(ccn4Cc4ccccc4)c3)CC2)cc1 1860235237 PKYAMBYCCBINTH-UHFFFAOYSA-N 425.532 4.661 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(C)c(C)c1 1860761553 YHUWHDJBIJMVFA-KDOFPFPSSA-N 442.581 4.760 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccccn2)cc1 1865672965 PPNWDMKBPKPJSI-XSFVSMFZSA-N 434.293 4.687 10 10 IJCE O=C(Cc1ccccc1OC(F)(F)F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180048 XEQKCJJSBZLGRH-UHFFFAOYSA-N 425.362 4.542 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262756 WTKDBSUPOAEKSZ-XJABCFGWSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NCc3cc(Cl)cc(Br)c3O)[C@H]1CC2 2229836317 MAVZSCIWPBWPEF-NUEKZKHPSA-N 445.785 4.828 10 10 IJCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1I 2234170667 GBSSVJFKQDKWJN-ZJUUUORDSA-N 425.057 4.559 10 10 IJCE CCOc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OC 2296409899 HESPMUWNVZIAII-UHFFFAOYSA-N 443.459 4.837 10 10 IJCE CC[C@@H](NC[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2363712503 DOSOUAVMYSENSV-LUQKVYGDSA-N 439.394 4.985 10 10 IJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20697882 SNFBEKCUXYGJKM-RQTOMXEWSA-N 438.593 4.657 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 54620847 BLVQHGOHIJDLSE-QHCPKHFHSA-N 443.503 4.730 10 10 IJCE Cc1cc(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(C)n1Cc1cccs1 98080440 AKRJXERGRPLSGZ-UHFFFAOYSA-N 433.581 4.778 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526232226 PBRGSRLOUURRGQ-XMMPIXPASA-N 447.487 4.735 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 702096055 DOOUNSPDBPWCLA-DHJUGAMNSA-N 428.418 4.688 10 10 IJCE CC1(CNCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 708076469 MLEDNQQPVWIRMV-UHFFFAOYSA-N 447.801 4.935 10 10 IJCE CCNCc1ccc(N2CCC(CN(C)Cc3ccccc3)CC2)cc1Br 717519488 GXHMMKJUYZRNBA-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CC[C@@H](C)N(C(=O)c1cccc(NC(C)=O)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917582 SWHOGOYYJVGJOH-MRXNPFEDSA-N 440.499 4.866 10 10 IJCE CCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421745 OPQYXSUNIGBRGR-UHFFFAOYSA-N 444.491 4.604 10 10 IJCE C[C@H]1C[C@H](N(C)c2ccc(CNC3CC3)c(Br)c2)CN1Cc1ccccc1 2154821739 DHLGPEAWJNIZKX-JTSKRJEESA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)N1CCCC12CCC(NCc1ccc(Br)cc1O)CC2 2167904628 BQPRFVHKFKRHII-UHFFFAOYSA-N 439.394 4.957 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2188882859 FTYJNVQBZMGNAA-DHJUGAMNSA-N 428.418 4.830 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2296812456 XNXVUOIUCNEZEX-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE CCc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 2297346841 MLGWCRFTXPFNJD-UHFFFAOYSA-N 443.507 4.846 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OCC 2321708993 CYRFGASTTGZCAD-UHFFFAOYSA-N 443.546 4.978 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127365 QDXGTLUGJSMDSE-UHFFFAOYSA-N 426.472 4.609 10 10 IJCE Cc1ccc(CN[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352692531 JJNOOOKSZMVKMQ-CQSZACIVSA-N 427.383 4.588 10 10 IJCE COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 2306859 QFNXEGZBWNETIS-HKWRFOASSA-N 426.428 4.853 10 10 IJCE CN(C)c1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC2(c3ccccc3)CC2)cc1 1083575044 XRBVCEPLUMHEIJ-DQEYMECFSA-N 440.543 4.850 10 10 IJCE Brc1cc(CNC[C@@H](c2ccco2)N2CCCC2)ccc1N1CCCCC1 1655957460 DBZOPZWIBYRRQI-NRFANRHFSA-N 432.406 4.959 10 10 IJCE CN1CCN(c2ccc(N3C(=O)/C(=C\c4cccc5ccccc45)SC3=S)cc2)CC1 1860085423 KCBOQPUBQUAILT-HAVVHWLPSA-N 445.613 4.997 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664447 PRSPQHBTVUKOAN-UDWIEESQSA-N 434.879 4.897 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cc(C)cc(C)c4)cc3)CC2)cc1 1872870756 QMFGYMBYXBXFCD-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2Br)cc1C 2080000006 NUSANZWAFUGKHC-IBGZPJMESA-N 432.362 4.724 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2136107433 QOEZCQBNJZNLMH-ORAYPTAESA-N 445.785 4.545 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3ccc(OC)c(Br)c3)C(=O)N=C2S1 2297499590 OKJCJCYNCIXODC-UHFFFAOYSA-N 435.347 4.657 10 10 IJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 2313549023 LJWACOUDNJAVMA-UHFFFAOYSA-N 444.487 4.694 10 10 IJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCC)C1=O 2314414661 HZZDDNYDLYFABR-UHFFFAOYSA-N 444.626 4.688 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2314650724 ZANIHITWMHCYAJ-MRVPVSSYSA-N 428.318 4.928 10 10 IJCE COC(=O)CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2314769347 PBCAKIFCDFFCGN-UHFFFAOYSA-N 447.965 4.683 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1OC 2321683235 JTBSNQOMGGOCNI-UHFFFAOYSA-N 442.562 4.848 10 10 IJCE Cc1ccc(CNCCCCC2CN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352675998 LORRKXPWAHIYSU-UHFFFAOYSA-N 427.383 4.590 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N2O1 20236764 RCXKXYVBKDQSRK-BMXMFTLKSA-N 437.883 4.557 10 10 IJCE CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 27549505 ZQMNLWWZLHZGKS-XBKRUARRSA-N 445.470 4.838 10 10 IJCE Cc1cc(Br)c2c(c1NC(=O)Cc1ccccc1)C(=O)c1ccccc1C2=O 31440197 JBSGRYPNFRQTLA-UHFFFAOYSA-N 434.289 4.714 10 10 IJCE CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)CC(C)(C)C 37403565 MMSHVYRNDOOYSI-SFHVURJKSA-N 440.650 4.825 10 10 IJCE Cc1ccc(/C=C\C(=O)N(C)c2ccc(NC(=O)/C=C/c3ccc(C)nc3)cc2F)cn1 754317586 KWLVDHYOHDSLJU-UQXQTEIVSA-N 430.483 4.561 10 10 IJCE C[C@@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N(C)C)cc1 773619066 QQADECQUDGKLEW-QRQCRPRQSA-N 440.975 4.625 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cccc1OC 1865668814 QXWCPXLFNCNPQC-ATVHPVEESA-N 436.405 4.967 10 10 IJCE CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1865678452 MTAZDKLOWQDQLP-MHWRWJLKSA-N 445.313 4.671 10 10 IJCE CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872871521 CUPJVDJHTLAEJI-UHFFFAOYSA-N 430.548 4.799 10 10 IJCE O=C(N[C@@]1(c2c(O)c(Cl)cc(Cl)c2Cl)C[C@H]1C(=O)O)OCc1ccccc1 1952761733 SDCNJOSLPXPDNH-YPMLDQLKSA-N 430.671 4.579 10 10 IJCE O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059009069 DAODIKBJVCMPST-LYFYSQINSA-N 437.590 4.617 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)ccc1O 2314926826 TVCJBBNUZHLIJI-UHFFFAOYSA-N 426.302 4.803 10 10 IJCE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2332115076 PNXICFYGRWPDBC-UHFFFAOYSA-N 432.879 4.697 10 10 IJCE Nc1ccc(CCCOCc2cc(I)ccc2Br)cc1 2367609108 WJYHQWWMIQDUHU-UHFFFAOYSA-N 446.126 4.785 10 10 IJCE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1 32964476 OITPHSMGUZLHSV-IJFTXDGJSA-N 433.537 4.685 10 10 IJCE CCCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 40940723 SPIMTTLPRBVNCI-XMHGGMMESA-N 426.563 4.720 10 10 IJCE COc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC 730390311 VIYPQEXKBNEPPB-QGZVFWFLSA-N 446.507 4.805 10 10 IJCE COc1ccc(-c2cnc(CCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)o2)cc1 751302164 KGMNXVFXMGOMAY-UHFFFAOYSA-N 439.475 4.631 10 10 IJCE CC(=O)c1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccc1C 1526822208 LGBKXAREUUCOPO-PDGQHHTCSA-N 444.603 4.879 10 10 IJCE CC(=O)N(c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@@H]1C[C@@H]1C 1671652470 OFIXRAWUYHMAAU-GAJHUEQPSA-N 433.508 4.981 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(CO)c1I 2079984502 JHEGBBPAUBOGHG-MRXNPFEDSA-N 440.325 4.569 10 10 IJCE N[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCCCC3)c(Br)cc21 2152183489 ZSMDOSNHUOFSSN-OAQYLSRUSA-N 428.374 4.988 10 10 IJCE CNCc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163306737 LXLNFOPHSLKGPY-QHCPKHFHSA-N 428.418 4.661 10 10 IJCE CCCN[C@H](c1ccccc1O)c1ccc(Br)cc1I 2207269929 YCKGVSLIPCWWEH-INIZCTEOSA-N 446.126 4.848 10 10 IJCE Cc1ccc(NCc2cc(Br)cc(F)c2O)c(I)c1 2231936306 CCSDXXDKGMHADD-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE CC[C@@H](C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 2240008049 WZTVBXLMVQTOSS-GOSISDBHSA-N 428.418 4.659 10 10 IJCE CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(Br)c3)c2C)C(C(=O)OC)=C1C 2294034033 HVJPPOGVQJQDKV-UHFFFAOYSA-N 443.341 4.549 10 10 IJCE CCCCN1C(=O)C(=CC=C2Sc3ccccc3N2CCC(=O)OCC)SC1=S 2297322755 WNWJHNBBPFZTKW-UHFFFAOYSA-N 448.635 4.938 10 10 IJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=S 2314769194 OPZJQMLRLCDNLM-NRFANRHFSA-N 449.553 4.964 10 10 IJCE Cc1ccc(CN[C@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(O)c1Br 2381128380 TUERDLSHEQPPLQ-HXUWFJFHSA-N 429.402 4.998 10 10 IJCE COc1cccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2457254 APCNVHPUOCFQBL-UHFFFAOYSA-N 427.460 4.628 10 10 IJCE C[C@@H]1SC(=S)N(CCCCCC(=O)NC(c2ccccc2)c2ccccc2)C1=O 11636578 BQHPBGMXMGKKQD-KRWDZBQOSA-N 426.607 4.701 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 15035906 QBVPOZKNTYSYSG-PDGQHHTCSA-N 426.563 4.530 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@H](C)CC)cc3[C@@H]3C=CC[C@H]32)cc1 20718017 DCVDNPNPMBTPQW-QBUJUVIBSA-N 426.582 4.989 10 10 IJCE COc1cccc(CN2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1O 36348457 DIKRVUYRNGFQCA-NRFANRHFSA-N 427.888 4.759 10 10 IJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccc(C)c(C)c3)c3ccco3)CC2)cc1 38619966 HUVHYNQWLYXTOT-XMMPIXPASA-N 448.567 4.590 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1cc(I)ccc1Br 701377444 VLOWGFANEMGFOH-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE Oc1c(CNc2ccc(I)c(Br)c2)ccc(F)c1F 703212324 DKMSLCYPLJYWGD-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2nc3c4c(ccc3s2)CCCC4)cc1 784114121 WWGDXVSDMKUVTF-UHFFFAOYSA-N 448.592 4.919 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(Cc1ccccc1)Cc1ccccc1 798851347 ZOENTTVIWGGJBO-UHFFFAOYSA-N 428.576 4.583 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(O)nc4cc(F)ccc34)cc2Cl)C1 1524705175 USWHHSDTKZUUGP-AWEZNQCLSA-N 427.907 4.899 10 10 IJCE C/C(=C\C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1OC(F)F 1631607921 JXJMEJRYUOFKIP-RHYRFBSLSA-N 444.522 4.965 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917073 KFKRLZKRCCVBPL-HNNXBMFYSA-N 427.456 4.636 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169065 XDDMDEUYHWLNHC-QGZVFWFLSA-N 447.604 4.866 10 10 IJCE CC[C@H](N[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 1923157471 CBALSTGWTZSWOX-KMFMINBZSA-N 427.383 4.841 10 10 IJCE CC[C@@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OCc2ccccc2)C1 2027856167 VYLIAIFKSKSSHP-JOCHJYFZSA-N 447.373 4.826 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 2294769434 AGRWRGBFEBBDHP-UHFFFAOYSA-N 446.595 4.619 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2296154539 IZLZPVJVWFVUOG-UHFFFAOYSA-N 449.963 4.574 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2ccccc2O[C@H](CC)C(=O)O)SC1=S 2314934420 ZPIWCNVYQJLSGP-MRXNPFEDSA-N 443.546 4.733 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 2332139286 PCTCPPUHWJMFCZ-UHFFFAOYSA-N 426.472 4.625 10 10 IJCE O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1CCC(=O)N1CCCc2ccccc21 7016882 GWCWFLQRQMJXAI-YWQJBOLQSA-N 434.586 4.814 10 10 IJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15046384 VQEZKRDAWDMHIV-XACIZNRCSA-N 425.510 4.535 10 10 IJCE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048942 XIPUAZXNLVWCJN-IEOAWGNMSA-N 438.618 4.890 10 10 IJCE CC[C@@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 382062582 GKEKBXGBGMLKJJ-DOTOQJQBSA-N 427.383 4.985 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526144058 RYCKGIODEFOUOT-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE Cc1cc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(C)n1-c1ccccc1 754903991 QGYVFUWBNBHHQR-UHFFFAOYSA-N 431.414 4.994 10 10 IJCE CC[C@H](C)N(C(=O)COc1ccccc1OC)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917047 JMZHNNJLOUTPOD-KRWDZBQOSA-N 443.499 4.681 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@@H](N)c1ccc(N2CCCCC2)cc1 2044764012 GFBVFLOJUYQCJA-RPWUZVMVSA-N 439.600 4.787 10 10 IJCE CN(C[C@H](O)c1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2169709514 NSKKJVUGFYVJKS-IBGZPJMESA-N 435.362 4.644 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)CCC12CCC2 2225559006 JMIUAUBIGREDFM-AWEZNQCLSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@@H]2CCCC[C@H]21 2241008541 MSWXBPHARZNKAA-JCGIZDLHSA-N 439.394 4.813 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1cccc(O)c1 2293039512 HEDLVTUNPHEKAX-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2296812439 NBOSYINUPJUXCU-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccc(F)cc2)cc1 2313682466 CWQYLUGRFAYBOP-UHFFFAOYSA-N 433.458 4.788 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1)C(=O)O 2314930522 FKTAEXSHRUZJSM-GOSISDBHSA-N 427.547 4.951 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 2332115046 OAVBRPLAYDOFSX-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)cc2C)c2ccccn2)cc1 54120855 HLLPYIKWRZWGLX-VWLOTQADSA-N 433.596 4.991 10 10 IJCE CCCCN(C)C[C@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 96498799 IFSFJGUUHNSKEH-NAZSJVEXSA-N 444.579 4.540 10 10 IJCE CN(c1c(N=Nc2ccccc2)nn(-c2ccccc2)c1N)S(=O)(=O)c1ccccc1 254483911 VMJGCKMDJNXUOJ-UHFFFAOYSA-N 432.509 4.695 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526203066 ISRUSDSYGMKVEG-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CN1CCSCC1 1088723252 GTRCVMRVHBMVAA-BOPFTXTBSA-N 437.011 4.808 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865672055 XOJYETIIPQDOHF-FYJGNVAPSA-N 446.890 4.954 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1948172005 RENUDQBUJHVAEK-MJGOQNOKSA-N 433.346 4.607 10 10 IJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 2313559991 FBVBYSAOTCWALC-UHFFFAOYSA-N 433.895 4.756 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c(O)c1Br 2352683204 FVTGBVZAXGRYKP-OAHLLOKOSA-N 427.383 4.588 10 10 IJCE CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 1149484 OSRBIRBOSKHUBP-NDENLUEZSA-N 426.538 4.817 10 10 IJCE O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 3639900 DWYCOQIBWGDNTB-NTEUORMPSA-N 427.425 4.641 10 10 IJCE O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3ccccc3)c1C2=O)c1ccccc1 13558880 AKIWQLUBVUXEEO-UHFFFAOYSA-N 448.430 4.900 10 10 IJCE CCCN1C(=O)/C(=C2/SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21 33652134 MQGFJPYREDCVNT-SJHSGFPMSA-N 439.400 4.576 10 10 IJCE COc1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1 34988805 LKOWBPJFPPLLDE-UHFFFAOYSA-N 439.309 4.739 10 10 IJCE OC1CCN(c2ccc(CNc3ccc4cccc(Br)c4n3)cc2F)CC1 301594209 FBJPCDBNAWBHCG-UHFFFAOYSA-N 430.321 4.710 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(Br)cc2O)Cc2ccccc21 691408192 WDQBZEGVNXYPER-KRWDZBQOSA-N 433.346 4.611 10 10 IJCE Brc1cc(CNCc2ccccc2-n2cccn2)ccc1N1CCCCC1 1201490142 ACABRJIVSODUMJ-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1OCC 1858596745 ZNROLFKPMNZMDQ-MRLFETHQSA-N 437.583 4.575 10 10 IJCE Cc1nc(-c2ccccc2F)ncc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859616420 GXQZJVCAQKHXDR-UHFFFAOYSA-N 437.430 4.619 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(OC(F)(F)F)cc1 1891475890 HTBDCOBHPABKDY-UHFFFAOYSA-N 436.383 4.788 10 10 IJCE Cc1nn(Cc2ccc(Br)cc2O)c(I)c1C1CCC1 2079673587 JCFLLOATYYRCEF-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(CO)c2I)cc1C 2079959756 YKWXBEXFFXYVLT-GOSISDBHSA-N 442.341 4.671 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2079999478 JRIOAIZSGHIWGK-SFHVURJKSA-N 432.362 4.724 10 10 IJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2080054806 VTXQAXFDEVOKLJ-MRXNPFEDSA-N 437.334 4.745 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@]21CNCc1cc(Br)cc(F)c1O 2145600433 PVVPHKKNYASWTH-VLIAUNLRSA-N 443.357 4.563 10 10 IJCE O=C1N=C(O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N1c1ccccc1 2889736 ZOLJSKWOMWZLOW-OQKWZONESA-N 428.444 4.651 10 10 IJCE O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 3639893 YGZJYOBCYLYGGB-ZSOIEALJSA-N 428.318 4.929 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469261 UGPGXVFJGFCGQO-XLNZFTOWSA-N 434.536 4.975 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCc3cccc(OC)c3)C2=O)cc1 17095422 PUAYLWAMNDQEPY-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642370 QIWJKCMKBZMADL-YADARESESA-N 429.555 4.757 10 10 IJCE CCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 1084032411 LEXHAUNBOJJTSD-SXGWCWSVSA-N 431.451 4.516 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2078984372 SAPLGYBOFVUFCU-MRXNPFEDSA-N 425.314 4.597 10 10 IJCE O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(I)cc1 2321616855 NJSYXVSRQNEVGE-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)ccc1OC 2321741875 SKBJWKAYYNANKY-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE Cc1ccc(CN(C)Cc2cccc(I)c2)c(O)c1Br 2380765695 OMXUIIFBDORAMZ-UHFFFAOYSA-N 446.126 4.700 10 10 IJCE Cc1c(CC(=O)OC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 45336879 YBFSRNJNJQVVGK-UHFFFAOYSA-N 447.503 4.629 10 10 IJCE Cc1cc(C(=O)CS(=O)(=O)Cc2nc(C(C)(C)C)cs2)c(C)n1-c1ccccc1 755737132 OSHPPKQFIVZVJK-UHFFFAOYSA-N 430.595 4.646 10 10 IJCE CCCN(CCC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 1084576265 MKUBPBOTEXQLIT-XSFVSMFZSA-N 425.916 4.633 10 10 IJCE CC(=O)N(C)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1 1461246985 GYMXSICNIUCFDZ-UHFFFAOYSA-N 428.124 4.512 10 10 IJCE Brc1cc(CNC[C@H]2CCN2Cc2ccccc2)ccc1N1CCCCC1 1461645839 CAJRVLFBSJQKID-OAQYLSRUSA-N 428.418 4.804 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccccc4C)c3C)c2C)C1=O 1627377220 YCIAYYHDZTZCEA-UHFFFAOYSA-N 444.535 4.752 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)c1ccc(N2CCCC2)cc1 2044756279 JRKYMANGHJLOSU-VWNXMTODSA-N 439.600 4.787 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)c1cc(Br)ccc1O 2098976778 RWOUKJCABNWHPV-HOCLYGCPSA-N 427.383 4.983 10 10 IJCE COc1ccc(Br)c(CNCc2ccc(NC(=O)OC(C)(C)C)cc2)c1O 2236050401 FGHFTFOOZJVQBN-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280332880 JBVDSFBWOFERHY-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3cc(Br)ccc3OC)C(=O)N=C2S1 2297499392 ABOUCDIXZCCZHZ-UHFFFAOYSA-N 435.347 4.657 10 10 IJCE CCOc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 2314932091 KINPWKFLKCLLQL-AWEZNQCLSA-N 443.546 4.511 10 10 IJCE CCC1=NN(C)C(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 2332133951 UZPDYPKPCPUONC-UHFFFAOYSA-N 433.291 4.843 10 10 IJCE Cc1ccc(O)c(CN2CCN(Cc3cc(C)ccc3O)C2c2ccc(N(C)C)cc2)c1 19327538 NXSRXRUKGKNIPD-UHFFFAOYSA-N 431.580 4.797 10 10 IJCE O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1 33330513 BBPDPOFBQVNKDT-GUSDSWBTSA-N 432.929 4.875 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 33723690 ZMTCLFSKMCMRIR-SUCHYCSPSA-N 444.626 4.605 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226671654 RQQBBQZQABGLOZ-JQYIIUTOSA-N 432.612 4.651 10 10 IJCE CC(=O)c1cc(F)cc(CN(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c1O 1642228856 HKUFLKPYRZIVQA-UHFFFAOYSA-N 442.437 4.653 10 10 IJCE CCCN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947484393 KGAOSHLSQSBJON-RBBKRZOGSA-N 428.573 4.933 10 10 IJCE Cc1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c(O)c1 1952759023 ALDBQXHHODOKDW-ATIYNZHBSA-N 429.472 4.539 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148938793 LAKKAWZMIPWLAX-HFSMHLIXSA-N 428.418 4.817 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cc(Br)ccc3O)CCCCC[C@H]12 2153949518 GJVYBQMWLJRWSL-RXVVDRJESA-N 439.394 4.957 10 10 IJCE CCCOc1ccc(C=C2SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2293104145 BEDYUXPPYMTMIQ-UHFFFAOYSA-N 441.984 4.921 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2cccs2)cc1 2313682629 HPINHGGZSRNBFG-UHFFFAOYSA-N 433.533 4.580 10 10 IJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2OCC)SC1=S 2314768961 MTXUZJOEAOGQNG-LJQANCHMSA-N 427.547 4.591 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734233 FWMXIBWSMBMFQX-UHFFFAOYSA-N 432.426 4.961 10 10 IJCE O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2323844138 DLQFAQAWLAWNOR-UHFFFAOYSA-N 434.336 4.549 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]2CC[C@@H]21 2330841339 OLCLSJNHJONJFH-IMJJTQAJSA-N 445.785 4.686 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1 14463932 DZWFCMAGOOXVNO-SYVJQLTCSA-N 446.572 4.687 10 10 IJCE Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)c(C)n1-c1cccc(C(C)C)c1 1151359721 PARLHBBEJYYFSR-HSZRJFAPSA-N 443.551 4.755 10 10 IJCE COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 1616778455 BXFWGDLAYCZNDJ-LBPRGKRZSA-N 431.945 4.775 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)c1O 1648040914 FHGUSIQTIDHWAK-UHFFFAOYSA-N 446.931 4.672 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)C)c(C(C)(C)C)c2I)c1 2079773377 GQVSNGGZHUZWIB-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC[C@H](NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159268466 YTZQIOOIGFDDLM-HOCLYGCPSA-N 443.382 4.567 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccccc1C(F)(F)F 2296885398 SNEMLAXOCZHJQA-UHFFFAOYSA-N 426.441 4.528 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccccc3Cl)SC2=S)N(C)C)cc1 2323879871 MSWSWGFIEOXUGI-SFHVURJKSA-N 432.998 4.853 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2c(O)ccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1 14548107 ADJPMOFSTCQLPS-AJFLCOCNSA-N 439.559 4.760 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 15040026 XLPJLJLJTFZUNO-CYVLTUHYSA-N 426.563 4.705 10 10 IJCE O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc2c(c1)OCCO2 40025630 FHSQYPDNYXZWFF-SXGWCWSVSA-N 434.336 4.626 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 59378360 FLNZBDCRAJBCRZ-RCCKNPSSSA-N 441.622 4.837 10 10 IJCE COc1cc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc2c1OCCO2 96669498 FHPNDZZZHFLHBF-CXUHLZMHSA-N 436.411 4.568 10 10 IJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 205959054 GQEQGDXKICLEMM-HAVVHWLPSA-N 441.487 4.619 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(/C=C2/C(=O)N(c3ccccc3)N[C@@H]2C)c1 210118642 ARUIUQLJGJFWIL-WOURZFCJSA-N 448.526 4.816 10 10 IJCE CC[C@@H](NC[C@]1(C)CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 311434883 SNELFGDBTMGBGV-UZLBHIALSA-N 427.383 4.985 10 10 IJCE CCCCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586620735 LZSYHVFHFVEUOZ-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1OC 1084551100 QLBORKRUMFQHOF-VCHYOVAHSA-N 434.970 4.936 10 10 IJCE C/C(=C\C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1C(F)(F)F 1275224294 BJTTUACMSMKCJR-GXDHUFHOSA-N 440.412 4.540 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1O 1559837819 QHQOSMHOVLHAGG-NRFANRHFSA-N 434.552 4.591 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867971941 HZBWKYWWLDRNEW-OAQYLSRUSA-N 443.595 4.715 10 10 IJCE O=C(O)CCCCCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2053511751 HVDRFLLNGOSZLG-UHFFFAOYSA-N 446.506 4.701 10 10 IJCE OCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163260008 IYQWNTDWRFVCNQ-QHCPKHFHSA-N 429.402 4.824 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 2297450928 YXZSMNVVYOQILC-UHFFFAOYSA-N 448.411 4.786 10 10 IJCE CC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682909 NPFJROMBHLJFQT-UHFFFAOYSA-N 434.559 4.749 10 10 IJCE CN1CCN(c2ccc(N3C(=O)C(=Cc4c(F)cccc4Cl)SC3=S)cc2)CC1 2321684697 PNLGZCHWBUUXCJ-UHFFFAOYSA-N 447.988 4.637 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 2321730189 VMZNIRWABNPNHV-UHFFFAOYSA-N 436.606 4.853 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1 2321743509 YXROXMKKNBQRBT-UHFFFAOYSA-N 433.352 4.813 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1OC 2323790572 SMJHUSKSWSVCFF-UHFFFAOYSA-N 435.954 4.507 10 10 IJCE Cc1ccc(CNC[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352950891 ZIKRIDXCFYTJEC-ZBFHGGJFSA-N 427.383 4.636 10 10 IJCE Cc1cccc(N2C(=O)/C(=C3\C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 33562645 SMDUWHXVGZGBMD-QZQOTICOSA-N 449.601 4.561 10 10 IJCE CCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 40939862 CYBNGPJGGYZRFI-CYVLTUHYSA-N 426.563 4.802 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526215299 SRYAMJJNHIIFBY-XMMPIXPASA-N 430.504 4.827 10 10 IJCE Cc1cncc(/C=C\C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C/c3cncc(C)c3)c2)c1 772169940 OGYPDARBIGNCEZ-BDLVGCLISA-N 440.547 4.754 10 10 IJCE C[C@@H](c1ccccc1)N(CC(=O)NCCc1cccc2cccnc12)Cc1ccccc1O 776011312 SBFFAKSIYXNNOX-NRFANRHFSA-N 439.559 4.863 10 10 IJCE COc1ccc(C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1859891444 CHKMDMHMRUIDJC-UHFFFAOYSA-N 429.472 4.534 10 10 IJCE CC[C@@H](C)N(C(=O)COc1cccc(OC)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859910052 AOMJEKNIVPAXAW-QGZVFWFLSA-N 443.499 4.681 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1Br 1860086179 OTZUVYBAPLCJFX-FRKPEAEDSA-N 434.336 4.892 10 10 IJCE CC[C@H](NC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cc(Br)ccc1O 1917716170 XVYFRKDPAVSWKG-LBKMDBTOSA-N 439.394 4.985 10 10 IJCE CC1(c2nn(Cc3ccc(Cl)cc3O)c(I)c2C(F)F)CC1 2079772972 XCOUYSZTOOMMGC-UHFFFAOYSA-N 438.643 4.884 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148936859 ZTIHMHXKDAPKAX-DFQSSKMNSA-N 429.402 4.851 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(=O)c1oc2ccccc2c1C 2296145112 SMFXEFOHBVQCIH-UHFFFAOYSA-N 439.514 4.800 10 10 IJCE COc1ccc(-n2cccc2C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 2297346883 VFFOXEINJTYZKN-UHFFFAOYSA-N 426.501 4.790 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCCN(Cc2ccc(I)c(Br)c2)C1 2377267923 XNUPPBWFRASGLI-LBPRGKRZSA-N 449.134 4.966 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c(O)c1Br 2381131883 SYQRWCIREJBQBS-GCKMJXCFSA-N 439.394 4.588 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 20699943 LCJPYXXTZXYWQZ-CLWLKPMESA-N 444.984 4.624 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526380943 CPJXJGJLOKRJAX-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE Cc1cc(O)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 687755459 VMWNPNWTNCZNJN-QFIPXVFZSA-N 435.451 4.894 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1Br 719372436 QWJLWJLPMWHNSO-HOJAQTOUSA-N 428.418 4.688 10 10 IJCE Cc1cc(C(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccn1 764145883 JONQACMXCDREGI-UHFFFAOYSA-N 437.927 4.604 10 10 IJCE C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 766195004 MOIRCCNXVJBVEU-XMSQKQJNSA-N 443.563 4.579 10 10 IJCE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 1083929443 RBVQJJWZUQDVCR-BKUYFWCQSA-N 433.895 4.756 10 10 IJCE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 1461964190 ACVAFKKLDUMRSY-QFIPXVFZSA-N 432.564 4.742 10 10 IJCE COc1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 2041044404 DWEXIFHPMZWDPH-UHFFFAOYSA-N 431.535 4.801 10 10 IJCE CC[C@@H](NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2093119781 GCIHOEFFIAIQTD-BXUYSKSPSA-N 425.367 4.641 10 10 IJCE C[C@@H]1CN(c2ccc(CNC3CCC3)c(Br)c2)CCN1Cc1ccccc1 2240038578 VHGPNDRSPNHMHB-GOSISDBHSA-N 428.418 4.802 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357094780 ZUUJLYGDMPTBIW-DMUMMCEESA-N 433.365 4.867 10 10 IJCE NC(=O)C1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 20902469 ZNSDYIRKKSSWGT-UHFFFAOYSA-N 441.575 4.751 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C\c1ccccc1O 54201441 ULKPFAKZBRSSCA-SPMKTWQFSA-N 441.512 4.919 10 10 IJCE O=C(/C=C\c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Br)cc1 207293241 JWKBJQSIIUJUEL-JYRVWZFOSA-N 438.281 4.999 10 10 IJCE COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 210758101 MVZMXMNDNIOLTO-DTQAZKPQSA-N 447.607 4.552 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2ccc(Br)c(I)c2)c1 312449929 RHORJCQKJDZUHF-VIFPVBQESA-N 448.098 4.941 10 10 IJCE O=C(COC(c1ccccc1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 735517853 FLTHRTSIVGQMQJ-XMMPIXPASA-N 431.532 4.706 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c(C)c1 1084189529 UYXVTXOUTSBZBO-UYRXBGFRSA-N 447.535 4.681 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)c(O)n3)cc2Cl)C1 1639533171 DJGZFWPKDLTWIX-GFCCVEGCSA-N 427.854 4.626 10 10 IJCE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C1CCN(CCC)CC1 1705886478 YWOWNWZWLZYDPQ-UHFFFAOYSA-N 432.616 4.849 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)ccc1O 1865675377 DULXVVSVHMYPFB-XFFZJAGNSA-N 428.769 4.537 10 10 IJCE Cc1sc(NS(=O)(=O)c2cc(F)c(Br)cc2F)nc1-c1ccccc1 1892102439 KWMNMZLBOCXBLA-UHFFFAOYSA-N 445.310 4.960 10 10 IJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951854691 KGEIYWXFNIDGKJ-HSZRJFAPSA-N 447.487 4.788 10 10 IJCE COCCCCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2034737150 DPRYGDJJUBQCKB-UHFFFAOYSA-N 439.600 4.995 10 10 IJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C(F)F 2079718632 ZDGCQGLKHIQMQP-UHFFFAOYSA-N 446.157 4.760 10 10 IJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080047311 CIAZFQJSSGRYNB-INIZCTEOSA-N 439.350 4.689 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cccc(Br)c2O)C(F)(F)CC1 2161227552 KPOPJXDYMHGCHE-CQSZACIVSA-N 449.336 4.527 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(NCc3c(O)cccc3Br)cc2C1 2234133520 RVVWUTOXPLNTBW-MRXNPFEDSA-N 433.346 4.759 10 10 IJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccccc4)o3)C2=O)c1 2297334687 RXBGVKDLDKITDY-UHFFFAOYSA-N 426.350 4.993 10 10 IJCE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 7018096 GILAWEGZRHETSF-OLOAGALHSA-N 443.444 4.522 10 10 IJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC[C@H]1c1nc(C2CCOCC2)no1 575314011 RMYZNMCQWZFBMT-QHCPKHFHSA-N 448.567 4.551 10 10 IJCE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3ccc4c(c3)c(C)c(C)n4C)ccc21 1309595743 ZVDFPRFKSDUNCT-UHFFFAOYSA-N 440.565 4.597 10 10 IJCE CC[C@@H](C)N(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917880 YMGNRHRJFIQYNG-MRXNPFEDSA-N 442.471 4.744 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(N3CCCCC3)cc1)c1ccccn21 1873972340 GYCROIZTRLLWLD-UHFFFAOYSA-N 449.510 4.957 10 10 IJCE O=C(Nc1ccccc1)C1CCN(C(=O)C=Cc2ccc(N3CCCCCC3)cc2)CC1 2040481265 MKRNSRNWIGVBKF-UHFFFAOYSA-N 431.580 4.958 10 10 IJCE Cc1cc(C=CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccccc1 2040488707 XNXNXRDQPGTAEP-UHFFFAOYSA-N 433.596 4.749 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2Br)cc1C 2080055079 ZTHNWXZZMJLIFM-HNNXBMFYSA-N 432.284 4.835 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S)Nc1nccs1 2297453693 LRPMMIIPHWKMBY-UHFFFAOYSA-N 444.390 4.680 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccnc4ccccc34)SC2=S)cc1OC 2297471818 RGNFKKSPCNOVJD-UHFFFAOYSA-N 436.558 4.696 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cccc([N+](=O)[O-])c2)cc1 2332134530 HDVDJBWWOUPSPP-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134826 OZZBLXKAJPCZPY-UHFFFAOYSA-N 442.515 4.856 10 10 IJCE CN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C(C)(C)C)C1=S 1287793 XKTSWWPMQMYGKS-RVDMUPIBSA-N 430.614 4.755 10 10 IJCE Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Cl)c3)c2-c2ccc(Cl)cc2)cc1 11730692 YSOFJFBCQFFCDK-UHFFFAOYSA-N 445.331 4.656 10 10 IJCE C[S@](=O)Cc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 11967380 UMJRVTZWHMEWGS-OOWIMERYSA-N 429.541 4.943 10 10 IJCE O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2 25391828 KBHBPOSLNAYQPA-SAPNQHFASA-N 445.475 4.555 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)cc2c1 38732302 CWPHAFHRYXFTCC-ZHZULCJRSA-N 439.606 4.524 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226696387 BAQMRKDOPOOFSK-SIFCLUCFSA-N 433.335 4.902 10 10 IJCE Cc1cc2c(n1-c1cc(I)ccc1Br)CCC[C@@H]2O 311577438 SLTBRLFNPWQIEN-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE CN(c1ccc(CNC2CC2)cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 388400609 MGBRZNKEECODGX-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526231769 IVLPFBADYVHZRP-DEOSSOPVSA-N 447.487 4.735 10 10 IJCE Oc1nc(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)nc2ccc(Br)cc12 761648020 GZXBWXGYVFRFCN-UHFFFAOYSA-N 448.280 4.529 10 10 IJCE C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1534129787 NXLQGEOIVQXRSN-QINSGFPZSA-N 438.877 4.915 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 1624892548 KDDQEKUNQCHONQ-PEZBUJJGSA-N 436.499 4.858 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccccc1O 1952863398 VLKQJHWVIXBERM-XUZZJYLKSA-N 429.472 4.789 10 10 IJCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)[C@H](O)c1ccc(N2CCCCC2)cc1 2044734070 RYDUXOWHJDLHJT-DNQXCXABSA-N 440.584 4.820 10 10 IJCE O=C(O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2053511780 ISZWGXLIHWYIEC-UHFFFAOYSA-N 446.506 4.701 10 10 IJCE Cc1ccc(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c(O)c1 2079716278 XWZBDWNBUUXNBC-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccccc1O 2192612269 ZCCIRRNWPZBESN-LBPRGKRZSA-N 435.318 4.993 10 10 IJCE COc1ccc(Br)c(CNC[C@@H]2CCN(Cc3ccccc3)C2(C)C)c1O 2236055810 RTCPHEHFIXIBKM-KRWDZBQOSA-N 433.390 4.554 10 10 IJCE N=C1C(=Cc2ccc(Cl)cc2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 2297461260 AQTJAQOGNKUOIC-UHFFFAOYSA-N 442.953 4.729 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c(O)c1Br 2352687771 QVUFRXJTHLZBLY-IJEWVQPXSA-N 427.383 4.587 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)C[C@H]2CCC[C@@H]21 2360209343 BJSHQSVNVYLTQE-PVUWLOKVSA-N 443.357 4.562 10 10 IJCE CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380787788 VZIAYNAWWMHETR-OAHLLOKOSA-N 443.382 4.505 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccnc2)N3)cc1 14547136 DXMILAKBEOWIPD-IMSXRSKXSA-N 433.533 4.718 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccc(Cl)cc1 15039425 JLNLWQDHQSLORB-ATVHPVEESA-N 432.954 4.666 10 10 IJCE CC(C)c1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 20210713 FPJKHBYBASDOCO-HORDIMCOSA-N 429.505 4.861 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(Br)ccc1O 311290878 AAMXJHPVXASHFI-QRTARXTBSA-N 427.383 4.983 10 10 IJCE CC1(C)CC(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC(C)(C)N1 1858589587 AGBBILRYXZENSD-OQLLNIDSSA-N 439.444 4.960 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(C)sc3-c3ccc(Cl)cc3)CC2)cc1 1860343841 DNBCLLIBSZJZOL-UHFFFAOYSA-N 427.957 4.743 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCCCC2)cc1 1865858765 MIHAHSWFXMKTMY-HSZRJFAPSA-N 444.019 4.907 10 10 IJCE Cc1cc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(C)c1Cl 1865928748 RRNZVMVZHRVQPL-HSZRJFAPSA-N 444.019 4.745 10 10 IJCE Nc1ccc(Oc2ccc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1866060535 QXWLYBVNYUTIEK-FQEVSTJZSA-N 443.425 4.810 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2NCc2cc(Br)cc(F)c2O)C1 1918970412 ITDDDZPNDUJZMN-UZLBHIALSA-N 443.357 4.563 10 10 IJCE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C3CCC3)c2I)c1 2079698641 SWBLQWKUNZMCAJ-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cnsc1Br 2119195825 QWJFOELSGZORPM-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2136107435 QOEZCQBNJZNLMH-YJYMSZOUSA-N 445.785 4.545 10 10 IJCE CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCC3)c(Br)cc21 2152255262 CZJAECVAYJXAKI-OAQYLSRUSA-N 428.374 4.859 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2186713660 XIQJBJWRSCJMKK-KUHUBIRLSA-N 443.307 4.756 10 10 IJCE Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 2297350245 NFTICIRNEDXIIJ-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2cccnc2)cc1 2313682836 LRCGLRFQEJCRSF-UHFFFAOYSA-N 441.516 4.837 10 10 IJCE CC[C@H](NC[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2363712502 DOSOUAVMYSENSV-HZUJVAHNSA-N 439.394 4.985 10 10 IJCE Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1Br 2380804644 JRVKLZXMIVBADP-KRWDZBQOSA-N 435.362 4.819 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381131170 JVXPHOUHDFHJJI-ABFRBSLYSA-N 439.394 4.635 10 10 IJCE N=C1/C(=C\c2ccccc2OCCCOc2ccccc2Cl)C(=O)N=C2SC=CN12 4642146 GBIICZHVXJWNJN-XDNQVPPOSA-N 439.924 4.965 10 10 IJCE Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1Cl 38642784 BUYSUTJETYJLIR-XMSQKQJNSA-N 430.976 4.690 10 10 IJCE CC[C@H](N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311310968 WMHXAIIAEDZFPL-RDJZCZTQSA-N 427.383 4.985 10 10 IJCE c1ccc(CN(CCCNCc2ccc(N3CCOCC3)cc2)Cc2ccccc2)cc1 390548452 AJWLTXURHPVNEX-UHFFFAOYSA-N 429.608 4.705 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)c(O)c2)c1OC 526456267 LGZQICFAKDSCGU-QHCPKHFHSA-N 447.487 4.789 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 708156893 KDNSLLNHCVZQRL-ZIAGYGMSSA-N 433.774 4.734 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 781907859 JFEOQRCCPOPYTA-QGZVFWFLSA-N 428.273 4.638 10 10 IJCE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705801591 KIXQHXOVSFASFD-PSWAGMNNSA-N 449.599 4.559 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1901482555 IYXOBCOHGNVTHO-UZUQRXQVSA-N 447.539 4.995 10 10 IJCE COc1cccc(Cn2nc(C3CCC3)c(C3CCC3)c2I)c1O 2079834528 LKZMMPBKAYBRMA-UHFFFAOYSA-N 438.309 4.785 10 10 IJCE CCCC1(NCc2cccc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 2101397534 JNSIOQGDXBZOEN-UHFFFAOYSA-N 427.383 4.814 10 10 IJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)oc12 2296723162 MHKDRTOCGHHHDI-UHFFFAOYSA-N 433.514 4.783 10 10 IJCE Cc1cccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2296754899 PJODPRGIZWDBFL-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314828369 SCTHGRMRWWUJCE-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE Cc1cccc(COc2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)cc2)c1 206856157 VWBNXGAVDAZKIM-UYRXBGFRSA-N 427.547 4.640 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(S)c1O 687741822 OVXLNSLAPJUUEV-HXUWFJFHSA-N 435.501 4.735 10 10 IJCE Cc1cc(C(=O)Nc2ccc3nc(O)n(C)c3c2)c(C)n1-c1ccc(Br)cc1 1138741345 IKDZVFFJMSEQGY-UHFFFAOYSA-N 439.313 4.701 10 10 IJCE CC(=O)N1CCN(Cc2ccccc2NCc2ccc(N(C)Cc3cccs3)cc2)CC1 1620904407 CROPZYXRNJAAJJ-UHFFFAOYSA-N 448.636 4.661 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccccc2Cl)cc1 1857992586 UITWHYARALCHCD-UHFFFAOYSA-N 425.941 4.842 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)/C(=C\c4ccsc4)SC3=S)ccc21 1860086706 CCBCURDPKYFDFE-GIJQJNRQSA-N 433.535 4.929 10 10 IJCE Cc1cccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1868168598 VGYISSSJKMRJQH-UHFFFAOYSA-N 436.467 4.915 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NCc1cc(Br)ccc1O 1924818067 NHOOHWVQZBAKGH-RDTXWAMCSA-N 439.394 4.718 10 10 IJCE O=C(N[C@@]1(c2cc(Cl)ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952774430 HGRKNWARWOYAPE-SQJMNOBHSA-N 449.890 4.884 10 10 IJCE Cc1cccc(O)c1Cn1nc(C(=O)OC(C)(C)C)c(Br)c1C(F)(F)F 2079177025 ZZMIFFROWJKAGV-UHFFFAOYSA-N 435.240 4.682 10 10 IJCE CC[C@H](N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226270008 GSPYTEZBRJYEDL-DZKIICNBSA-N 431.346 4.543 10 10 IJCE CC(C)[C@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2274289735 SLDNFNKTAHBDTC-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2313559262 VCJOIEBTDKTTLO-UHFFFAOYSA-N 440.883 4.879 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccs2)SC1=S 2314837586 UNOSDFLBNMKADP-JTQLQIEISA-N 442.509 4.995 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cccc([N+](=O)[O-])c2)cc1 2332134662 VZBKKQNTYDCHQU-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE COc1ccc(N(C)Cc2ccc(I)c(Br)c2)cc1 2349789392 DTSDVPYICWYJKV-UHFFFAOYSA-N 432.099 4.699 10 10 IJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 33330139 MWXIBAQTCDXOKX-DEDYPNTBSA-N 428.579 4.956 10 10 IJCE O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 33567871 PZHPXSPTVLPASL-MHWRWJLKSA-N 442.846 4.921 10 10 IJCE COc1ccc(/C=C/C(=O)N2c3cc(CN(C)C)c(O)cc3C(C)=CC2(C)C)cc1OC 72441542 FFYZSTHWUADPBS-PKNBQFBNSA-N 436.552 4.713 10 10 IJCE O=C1N=C(NC2CCCCC2)S/C1=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 207924086 KBADPABXWLCSAT-HYARGMPZSA-N 443.576 4.886 10 10 IJCE CC[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311300599 RFVHSFZEUCUADM-DOTOQJQBSA-N 427.383 4.985 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526333732 NOIOCNJRGOMIKS-DEOSSOPVSA-N 445.494 4.907 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2cc(Cl)cc(Br)c2O)C1 708072608 GRLAITLQDPKIIA-SMDDNHRTSA-N 433.774 4.591 10 10 IJCE Cc1cc(Br)c(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)s1 743046219 PXLNBWVYYQRHLL-UHFFFAOYSA-N 441.397 4.842 10 10 IJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CC(F)(F)C1 1705590284 GWHAENKHDCVYIU-UHFFFAOYSA-N 447.533 4.861 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cccc(Cl)c5)[nH]c4c3)CC2)cc1 1861864339 NZXFHZBCWMPCKM-UHFFFAOYSA-N 446.938 4.854 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)cccc21 1868169912 WPHGAYLMONQTSW-QHCPKHFHSA-N 432.479 4.822 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166507 BKHLRJPOXPUVRD-QGZVFWFLSA-N 445.538 4.901 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Cl)cc(Br)c3O)C[C@@H]2C1 1967824541 IVUMABZELWUTCG-BFUOFWGJSA-N 445.785 4.687 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N[C@@H]1CCCc2ccccc21 2040495972 MMQPXLLHYIAKLZ-LJQANCHMSA-N 440.565 4.611 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(N)c2I)c(O)c1 2079013327 IRDDSEJJXPHWTQ-GOSISDBHSA-N 437.325 4.741 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccccc1O 2321664302 WDLRZOQISKBYQF-UHFFFAOYSA-N 442.743 4.920 10 10 IJCE Cc1ccc(CNCC2CCC(CNC(=O)OC(C)(C)C)CC2)c(O)c1Br 2380815823 KUUQUGPPIFXOBQ-UHFFFAOYSA-N 441.410 4.884 10 10 IJCE N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccco3)=NN12 20238782 GKQXHUUMAGNIJY-ZNNJIDPUSA-N 426.523 4.965 10 10 IJCE CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 33332529 MRZBMZKIHDULCV-UHHWSGGGSA-N 436.493 4.700 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(OCc2ccccc2)cc1 97998749 MZQJYNNNAMXPEA-WJDWOHSUSA-N 442.559 4.774 10 10 IJCE CCC(=O)Nc1cc(N[C@@H](C)C(=O)OC)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl 199855928 GGCPAZJYAXHGMU-LQYYBXHWSA-N 433.852 4.986 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1C(F)(F)F 210672405 PMCXGTQWTHVLJN-OQLLNIDSSA-N 440.443 4.684 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1ccccc1 210733780 CKTLZCLWJPRTNZ-XDJHFCHBSA-N 426.563 4.793 10 10 IJCE CC[C@H](N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311310969 WMHXAIIAEDZFPL-WBVHZDCISA-N 427.383 4.985 10 10 IJCE CC[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 387878777 ZSKDAVYYPOTIGB-WMLDXEAASA-N 427.383 4.843 10 10 IJCE CC(C)(C)OC(=O)NC1CCC(NCc2cc(Cl)cc(Br)c2O)CC1 708073146 LFNVJNPJZIQOEV-UHFFFAOYSA-N 433.774 4.734 10 10 IJCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c1 728981750 CQZWPTRBLMXJBD-CQSZACIVSA-N 427.932 4.585 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865674305 YMDCWMFJOIBNDQ-XMHGGMMESA-N 432.863 4.881 10 10 IJCE C[C@H]1CCN(c2ccc(C=CC(=O)O)c(Br)c2)CCN1Cc1ccccc1 1911873139 ACVQPMNPJJBVQM-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251795 COSBOMVJDHKPHN-BOCKYXSRSA-N 429.402 4.993 10 10 IJCE CCN[C@@H](C)c1ccc(N(CCOCCOC)Cc2ccccc2)c(Br)c1 2152214261 CDFXKLSLFNSSBD-SFHVURJKSA-N 435.406 4.789 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2cc(Br)cc(F)c2O)CC1(C)C 2236750098 OKBGIWBDQDWRBV-HXUWFJFHSA-N 445.373 4.809 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2295905604 BKIHBMAGVCGRDX-AWEZNQCLSA-N 434.521 4.864 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc2ccccc12 2296125942 VTWQYZGGWJJXOR-UHFFFAOYSA-N 439.471 4.502 10 10 IJCE CCOc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccccc1F 2297458160 CELJEQLYVNBEGN-UHFFFAOYSA-N 437.496 4.970 10 10 IJCE COc1ccc(CNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 2313682579 GJXPWOLAHKHXHS-UHFFFAOYSA-N 445.494 4.658 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 2986354 PALWYBNKIAJTQS-XSFVSMFZSA-N 429.563 4.512 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1 13643937 OXQVKDBGWJKNLY-MZKRTTBSSA-N 425.598 4.656 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCN(CC)CC)cc2[C@@H]2C=CC[C@@H]21 14545836 UKTCLNORPPXGHZ-YZIHRLCOSA-N 433.596 4.983 10 10 IJCE O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCOCC1 20704410 JYQBDQKTXFRFTK-WHSLLNHNSA-N 439.899 4.547 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226740235 FCMNBQMWLLCLLL-HYFFOGBASA-N 441.915 4.841 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]43)C[C@H]2C)cc1 504109539 KROIZQLPVOFDSY-BJUXJWPQSA-N 438.612 4.520 10 10 IJCE biogenic CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1cc(Cl)cc(Br)c1O 708074095 YTOFMFVFKPFAEH-AWEZNQCLSA-N 433.774 4.687 10 10 IJCE C/C(=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(F)(F)F 742080065 PMKRNDVTFNTMLH-SAPNQHFASA-N 432.486 4.634 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccccc3SCc3csc(C)n3)CC2)cc1 841324776 FZIGJGNFWLGBSU-UHFFFAOYSA-N 439.606 4.715 10 10 IJCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1632376814 MITXDEZBMHPTSU-JOCHJYFZSA-N 439.353 4.787 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1O 1648658085 PJFWDNCZACSZRB-PWIZWCRZSA-N 436.980 4.762 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2)sc(C)c1-c1ccc(F)cc1 1860747165 XLEROZFOJCYBKX-UHFFFAOYSA-N 426.469 4.617 10 10 IJCE Oc1cc(Br)ccc1Cn1nc(C2CCCC2)cc1I 2070044849 ACUMFUDKRYPKFN-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE CC1(c2nn(Cc3cc(F)ccc3O)c(I)c2C2CCC2)CC1 2079697906 CDJYOPMRUPDNNI-UHFFFAOYSA-N 426.273 4.700 10 10 IJCE CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 2296713440 BRVCYZULQYMKEL-UHFFFAOYSA-N 443.546 4.995 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Br 2352689647 ZHJWHXHAKSATFM-XJKSGUPXSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(O)c1Br 2380799159 WMRFTEFOZUZBCS-QGTPRVQTSA-N 439.394 4.587 10 10 IJCE CCN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1 59859547 GPEHTKGCTQQMQP-SFQUDFHCSA-N 442.313 4.720 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)cc1 69158136 ZAFINOIJRBWGCE-UHFFFAOYSA-N 436.939 4.890 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Cl 103919919 NYVFFDRWQXAFKR-UDWIEESQSA-N 448.306 4.654 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCc2ccc(F)cc2)cc1 205960258 LADIRIYFOVLIQW-JJIBRWJFSA-N 447.485 4.831 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C\C(=O)O)cc1Br 383326345 LWGXUULREVZOFD-QIBOZCLASA-N 429.358 4.505 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526270879 KBFUXKLXGJXLMV-NRFANRHFSA-N 441.842 4.956 10 10 IJCE CCN1CCN(c2ccc(CN[C@H]3CCCc4ncc(C(F)(F)F)cc43)cc2F)CC1 779024521 OZAMONDAEYUIAG-FQEVSTJZSA-N 436.497 4.549 10 10 IJCE C/C(=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccc(F)c1 1293793518 QHWBOZZPFMRUSA-QMPJNXRZSA-N 441.547 4.677 10 10 IJCE COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 1616778454 BXFWGDLAYCZNDJ-GFCCVEGCSA-N 431.945 4.775 10 10 IJCE CC(=O)c1cc(Cl)cc(CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1O 1658147364 VCVOSWNRCQDLNG-UHFFFAOYSA-N 432.948 4.775 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1705835740 SFOCWOSEKYYMLP-URXFXBBRSA-N 431.584 4.956 10 10 IJCE CCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421843 UELNACUUMVDHRD-UHFFFAOYSA-N 439.519 4.572 10 10 IJCE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 1891635766 ZMGKAEDULKGDFF-UHFFFAOYSA-N 442.541 4.612 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Br)ccc2O)CC12CCCC2 2098975963 MTOOITIOSUWWLD-INIZCTEOSA-N 425.367 4.567 10 10 IJCE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2)cc1C 2297313919 SHKNKHQPVJMLNE-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE CCc1ccc(OCCCOc2cccc(C=C3C(=N)N4C=CSC4=NC3=O)c2)cc1 2297356736 JJXPMYRAOKXEDI-UHFFFAOYSA-N 433.533 4.874 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NC12CC3CC(CC(C3)C1)C2 2297548870 HXKIUMXBDMBWMG-UHFFFAOYSA-N 446.663 4.815 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)c(C)c1 2313548215 OYPGCULNLPMKCC-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE Cc1ccc(CNc2cccc3c2CCN3C(=O)C(F)(F)F)c(O)c1Br 2381139728 AGXUMRXSYRQOQS-UHFFFAOYSA-N 429.236 4.527 10 10 IJCE COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 9526954 LTOUVZDGAPGVDH-HHHXNRCGSA-N 443.591 4.614 10 10 IJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34876659 KSISOJDEGNKIIS-GDNBJRDFSA-N 444.230 4.623 10 10 IJCE COc1cccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)c1 34988803 JWTPZPFMXKQBTE-UHFFFAOYSA-N 439.309 4.739 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2C(C)=O)c2ccccn2)cc1 54120915 YXKZTOXNPRBCTO-DEOSSOPVSA-N 447.579 4.577 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 205691899 QGBZCOOBGQVJPB-QGOAFFKASA-N 441.534 4.523 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 526372305 PIWVODOAEJVKJG-XMMPIXPASA-N 447.487 4.951 10 10 IJCE Cc1ccc(F)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687755884 FKZYTYOOTVHXBV-OAQYLSRUSA-N 435.451 4.894 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2cc(Cl)cc(Br)c2O)C1 708087468 CHLLFBPXVDDQIU-ZDUSSCGKSA-N 447.801 4.935 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1OC 1860085279 ARRYWJLAZFOATP-UDWIEESQSA-N 445.562 4.907 10 10 IJCE c1ccc(C(c2ccccc2)N2CCN(/N=N/c3ccc(N4CCOCC4)cc3)CC2)cc1 1860487655 IJRUNSRFXJBFSP-ZQHSETAFSA-N 441.579 4.929 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1872956551 NOIPUDUHKAPRNK-UHFFFAOYSA-N 444.487 4.503 10 10 IJCE O=C(N[C@]1(c2ccc(Cl)cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952760158 GEQDLSCSLZHPNY-BWKNWUBXSA-N 449.890 4.884 10 10 IJCE CC(C)(C)c1c(C2CCC2)nn(Cc2cc(F)ccc2O)c1I 2079789709 RPJAIGAMACKYMM-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE CCn1nc(C)c(Br)c1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2174628920 LWLWOKYJJUHBJF-UHFFFAOYSA-N 437.382 4.635 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(NCc3cccc(Br)c3O)cc2C1 2234122697 WVACEKUVRLZHNQ-KRWDZBQOSA-N 433.346 4.759 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2ccc(Br)cc2I)c1 2240332285 UHFIRGAKUGCXPT-SECBINFHSA-N 448.098 4.941 10 10 IJCE CCOc1cc(C)c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C 2294118668 MCPTXVBFMIPMAH-UHFFFAOYSA-N 426.900 4.837 10 10 IJCE COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)C=Cc2ccccc2)cc1OC 2296441490 XXGIBAITAVWFPK-QFIPXVFZSA-N 428.488 4.801 10 10 IJCE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296839431 SFPQFFFBGIKXAJ-UHFFFAOYSA-N 443.572 4.649 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 33351597 VSCWENQDALBLKS-GHRIWEEISA-N 444.626 4.544 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(O)=NC2=S)cc1Cl 34897765 XFNCIZAGPYQPFS-XFFZJAGNSA-N 425.691 4.676 10 10 IJCE C[C@@H](Nc1cc(I)ccc1Br)c1ccc(O)cc1O 311584883 VXGLJLILCTVLDO-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715052846 DAKPJLFXAPGQLS-LTMIRXACSA-N 429.402 4.993 10 10 IJCE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CC2(CC2)c2ccccc21 739609978 HZUBETUOTALDST-AQTBWJFISA-N 440.615 4.808 10 10 IJCE c1ccc(CN2C[C@H](CNCc3ccc(N4CCCCC4)cc3)C3(CCOCC3)C2)cc1 815149217 DUAPXLQBOOMDFC-SANMLTNESA-N 433.640 4.695 10 10 IJCE Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 1084131914 MNLXXARIYNRYRJ-VBKFSLOCSA-N 438.505 4.710 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NCc3cc(Br)ccc3O)C2)CC1 1254734827 XPJMPIGPQNDSBG-QGZVFWFLSA-N 439.394 4.814 10 10 IJCE Cc1cc(C)nc(-n2nc(-c3nnc(-c4cc(C)n(-c5ccccc5)c4C)o3)cc2C)n1 1349934213 KRPDLZJXIMZEAV-UHFFFAOYSA-N 425.496 4.712 10 10 IJCE CC(=O)[C@H]1CC(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)=NN1c1ccccc1 1466397861 AWJJCCNEZUJRLI-KBMIEXCESA-N 441.531 4.706 10 10 IJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)Cc2ccccc2Cl)cc1 1857992805 XUSHMHQRGLUXIC-UHFFFAOYSA-N 439.968 4.983 10 10 IJCE COc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1O 1865658146 AWFUCIWMLDICBI-LCYFTJDESA-N 441.203 4.512 10 10 IJCE O=C1/C(=C\c2cc(Br)ccc2F)C(C(F)(F)F)=NN1Cc1ccccc1 1865673800 XQFZVJHFPHYCAX-ZROIWOOFSA-N 427.195 4.932 10 10 IJCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1999536777 OODSLHVUVUTRAY-YFXJRYMSSA-N 427.589 4.512 10 10 IJCE CCN(CC)c1ccc([C@H](NC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764252 JSXZDTWPDTZPDR-ZEQRLZLVSA-N 441.616 4.903 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2087518748 FWCLZOJYPSUBLC-MLGOLLRUSA-N 447.801 4.981 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)NCc1cc(Br)cc(F)c1O 2099631079 PNWVSOKPTUQLAG-OAHLLOKOSA-N 431.346 4.562 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC(CN=[N+]=[N-])CC2)ccc1Br 2180964098 SGZPKFLUKZFIHL-UHFFFAOYSA-N 438.326 4.959 10 10 IJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1c1cccc(F)c1 2297295823 BIUWHOJFRWVYOD-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(SCc2ccccc2)o1 2297350064 RGXUDSHSBDXOQJ-UHFFFAOYSA-N 438.892 4.892 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2321738608 ZSWYECZNFRBYBG-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099617 MEEFTXSEIGPARP-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2352940640 GNUBRYSZSLMORQ-OAHLLOKOSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@H]2C[C@@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380796939 VPHXMQZKJAGTEC-XIRDDKMYSA-N 439.394 4.588 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 14461663 SOSOCRGBIRWYLQ-HFMPRLQTSA-N 425.598 4.610 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccnc2)N3)cc1 14547134 DXMILAKBEOWIPD-HFMPRLQTSA-N 433.533 4.718 10 10 IJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 39874907 WGICQABYDVXJFN-YVLHZVERSA-N 439.587 4.753 10 10 IJCE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C/Nc1cc(C(=O)O)ccc1C 101123296 FQJWFHDXOKXBNT-MHWRWJLKSA-N 442.313 4.791 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)C(C)C 1136751771 UPMKYVKGKWGEEE-UHFFFAOYSA-N 431.536 4.916 10 10 IJCE Cc1cc(=O)c(OCCOc2ccc(C(C)C)cc2)cn1CCCOc1ccc(N)cc1 1857916958 VMWDGDCHQJGTQA-UHFFFAOYSA-N 436.552 4.789 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(C3CCCC3)C2=O)cc1 1873163918 CKYNGTQRWDKVPT-UHFFFAOYSA-N 445.588 4.968 10 10 IJCE Cn1c(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccc(Cl)cc21 1874180084 ZFKMQBWYCJBXBB-UHFFFAOYSA-N 443.890 4.573 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Oc2ccccn2)cc1 1891711111 JOKOTBJUZVOGPO-UHFFFAOYSA-N 427.482 4.937 10 10 IJCE Cc1cccc(Cn2nc(C(C)(C)C)c(I)c2C(F)(F)F)c1O 2078995228 TWKARYLQFWDSGZ-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE O=C(Oc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)cc1)c1ccc(F)cc1 1121708 OABIKCZUYIPOPD-KGENOOAVSA-N 444.418 4.547 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]2CC=C[C@H]32)CC1 14476004 IOEGDKLRBYRHNF-YJLYGGOZSA-N 433.508 4.999 10 10 IJCE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N(C)C)cc1 18215064 VXCPGAXMSLRKGX-FQEVSTJZSA-N 436.383 4.520 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)cc1 32984021 OXJIFNBQJPQUCA-QRVIBDJDSA-N 447.922 4.708 10 10 IJCE CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O 65298408 YTCADAVFPONXCL-HSZRJFAPSA-N 437.584 4.524 10 10 IJCE biogenic COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(N(C)C)cc2)cc1C(F)(F)F 96203753 RHNWDHSUYCHNQD-QFIPXVFZSA-N 443.469 4.827 10 10 IJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C[C@@H]1CCCO1 208274718 XLZZAQYRIDKMDT-OFBHVFLISA-N 439.606 4.605 10 10 IJCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2I)C1 701275588 NUNDOEKVXTZYSP-QMMMGPOBSA-N 425.057 4.513 10 10 IJCE C[C@H](N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1O 813878291 DXOCVWKQSVPDJR-SUMWQHHRSA-N 425.367 4.595 10 10 IJCE C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1677301237 XOHPZYCZFZVZGI-MWJUTGRPSA-N 425.548 4.684 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)cc1 1860076895 XCQHOAYPEZPPFD-QGOAFFKASA-N 437.546 4.615 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)[C@H]1C(C)(C)C 1877293158 WBNPPBYFXQKVJB-WBVHZDCISA-N 427.383 4.668 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C2=O)cc1 2059012422 UTYWHTGIASKDEH-PIJYGECTSA-N 442.606 4.534 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1csc(Br)n1 2116033616 SARFTXHZZUQNBU-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251796 COSBOMVJDHKPHN-FHJLPGHOSA-N 429.402 4.993 10 10 IJCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2296660281 SQRDUYLBUVTAIU-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE CC(C)N1C(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)N(CCc2ccccc2)C1=O 2297454838 YTYRXWRBDCZRFY-UHFFFAOYSA-N 446.334 4.731 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 2314764718 KJDGBAXTXFIXHP-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(OCCC(=O)O)c(OC)c2)SC1=S 2314932716 OUMLPWSHDUPJIK-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Br 2352950072 NHBHYWSLMVICNM-HOCLYGCPSA-N 427.383 4.588 10 10 IJCE CCC(CC)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380759059 LISGFCGRJYMSGA-UHFFFAOYSA-N 443.382 4.505 10 10 IJCE CS(=O)(=O)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10909875 FWKOUDYUEXELNC-RUZDIDTESA-N 445.540 4.609 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526227192 POECCYWDBRDWAK-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CCOc1ccc(-c2csc(SCC(=O)c3ccc(O)c(O)c3)n2)cc1[N+](=O)[O-] 1860815418 YINHNFZLLUONJH-UHFFFAOYSA-N 432.479 4.503 10 10 IJCE CCCCCCOc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673115 VHJADBMPMIUFGP-UHFFFAOYSA-N 441.616 4.548 10 10 IJCE CCN[C@H](c1ccccc1O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041902420 IVVSMMQIUHWSHA-BVAGGSTKSA-N 440.584 4.887 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(CN)c2Br)C2(C)CC2)cc1C 2080053871 LKGZXOITYDOCAU-HNNXBMFYSA-N 432.284 4.835 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1 2293628296 BOYBOZWLVOJMTJ-UHFFFAOYSA-N 449.981 4.946 10 10 IJCE O=C(CN1C(=O)SC(=Cc2ccc(N3CCCC3)cc2)C1=O)c1ccc(Cl)cc1 2297366368 AOXMLPAUJJERMV-UHFFFAOYSA-N 426.925 4.859 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Cl 2297512277 WGRFRHYEGLCMMA-UHFFFAOYSA-N 435.665 4.729 10 10 IJCE CCOc1ccc(C=CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 2326618666 NFQTZPSMJBWFJB-UHFFFAOYSA-N 427.456 4.521 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1Br 2352953138 SRSWTWDZFFPQGF-IVMMDQJWSA-N 427.383 4.587 10 10 IJCE COc1ccc(NC(=O)CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 15037873 MUZCPYSPPLOCRS-GEZYKDBCSA-N 438.574 4.872 10 10 IJCE COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1 20071165 POFQXNDYLIIEBH-OFVILXPXSA-N 444.487 4.738 10 10 IJCE CC(C)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 40939875 BXBZYTWQDPGOFJ-XMHGGMMESA-N 426.563 4.658 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 103578197 PGIIGORLNWCDRY-KGENOOAVSA-N 444.487 4.556 10 10 IJCE Cc1cc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(C)n1-c1ccccn1 108807756 BCBROUPUGBVFCA-GOSISDBHSA-N 426.314 4.505 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526290845 FAYQBUACEPCZCR-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE COc1cc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 1858588611 OMMXZRKGRVCHJB-HBHVKADFSA-N 433.595 4.738 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1OCC 1858596743 ZNROLFKPMNZMDQ-JEDRVYOSSA-N 437.583 4.575 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCC)c3O)SC2=S)cc1OCC 1860086974 SOLCDODOBFLRKI-XDHOZWIPSA-N 445.562 4.994 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1-c1ccccc1 1860760258 XWKFYXAYYOEIHY-OAHLLOKOSA-N 436.533 4.716 10 10 IJCE COC(=O)c1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)sc(C)c1-c1ccccc1 1866056257 LTZWPGOTZDLNMJ-UHFFFAOYSA-N 435.501 4.909 10 10 IJCE CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422993 ZRDRBGIOLFRSMN-UHFFFAOYSA-N 449.938 4.968 10 10 IJCE CCCNCc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)c(Br)c1 1915034296 QQGYYTMTJKWFFL-UHFFFAOYSA-N 427.390 4.830 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NCc1cccc(Br)c1O 1924817543 KCQIQHMLRWPGRM-YJBOKZPZSA-N 439.394 4.718 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1948172003 RENUDQBUJHVAEK-HKUYNNGSSA-N 433.346 4.607 10 10 IJCE CC1(C)C[C@@H](CNCc2cccc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115924740 MICGYHUKHXCFRB-AWEZNQCLSA-N 427.383 4.528 10 10 IJCE CCCNCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2160682650 AVAHXDVBDWFIOR-SFTDATJTSA-N 428.418 4.659 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)cc(F)c2O)CC12CCC2 2173319646 INFUWIBCYHKVGK-ZDUSSCGKSA-N 443.357 4.563 10 10 IJCE CCCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OCC 2314760914 NLEFNCFQPHIHBJ-UHFFFAOYSA-N 437.583 4.720 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3C)c2)SC1=S 2314761029 NSIYDILVSIXHAV-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)ccc1OC 2323790020 XWQRZODKLIDMJY-UHFFFAOYSA-N 434.627 4.604 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F 2332141478 ZHSGWGZHLGWPBP-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE CC(C)Oc1ccccc1/C=C1\SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 35212105 WAHOTJIQHHEYLH-QNGOZBTKSA-N 441.984 4.920 10 10 IJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)NCc2ccccc2)C1=O 210733362 WSIWZORTGJLTJK-XCFXSZPASA-N 436.602 4.931 10 10 IJCE CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)[C@@H](O)CCCCCN4C)cc2)CC1 257181681 FVSGYLWLWGFRJR-SANMLTNESA-N 435.612 4.897 10 10 IJCE C[C@@](Nc1ccc(Br)cc1)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094338 UHVWGMDQOYLATE-QFIPXVFZSA-N 425.326 4.841 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715052843 DAKPJLFXAPGQLS-GEQKSPFYSA-N 429.402 4.993 10 10 IJCE Cc1ccc(/C=C\C(=O)N(C)c2ccc(NC(=O)/C=C/c3ccc(C)nc3)cc2C)cn1 754350141 CPWIAMKMXYDYPW-ITAGJCAXSA-N 426.520 4.730 10 10 IJCE CC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 1446824343 MLOQMULFXBYECR-UHFFFAOYSA-N 427.548 4.506 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)[C@@H]1C[C@H]1C 1637350414 WBKQOBKNRBATMP-PUAOIOHZSA-N 429.520 4.920 10 10 IJCE CCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1656036108 RZERRSXVQPONLH-UHFFFAOYSA-N 425.341 4.693 10 10 IJCE Cc1ccc2c(C)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1C 1859707537 SISALYVFUGZLMT-UHFFFAOYSA-N 437.451 4.746 10 10 IJCE CC[C@@H](C)N(C(=O)COc1ccccc1OC)c1cccc2c1C(=O)c1ccccc1C2=O 1859910490 JNFSHLXZXAFRLL-QGZVFWFLSA-N 443.499 4.681 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(CCc3nc4ccccc4[nH]3)C1=O)cn2C 1860086924 PKYWJVXPGKKPEQ-RGVLZGJSSA-N 448.573 4.507 10 10 IJCE CC(C)(C)c1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860708198 IEPBCMHTNRMTEV-UHFFFAOYSA-N 440.543 4.878 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(O)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866481014 UZGPOQDOPCRXJE-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE CCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421864 VFCYFDDVZKEPDU-UHFFFAOYSA-N 441.531 4.899 10 10 IJCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CNC2CC2)c(Br)c1 1915046156 RMEXOUKTTUMUIC-UHFFFAOYSA-N 425.374 4.582 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc(F)ccc1O 1952818732 LHARNJZDKZGIAJ-YKSBVNFPSA-N 447.462 4.928 10 10 IJCE CCCCOc1ccccc1C=C1SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O 2053516013 UJKIJLUQVUPYGI-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2168788389 JAEKXULENPTEND-UIFIKXQLSA-N 428.418 4.688 10 10 IJCE CCOc1ccccc1C=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2293152711 SZKRISUKTXRDOR-UHFFFAOYSA-N 427.957 4.531 10 10 IJCE Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 2296727512 JOVJOWDWMWLXID-LJQANCHMSA-N 439.558 4.594 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1 2297500118 KTARCLURIDYOMG-UHFFFAOYSA-N 444.462 4.634 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@H](C)COc1ccccc1 2297624726 HQRRYVRPFWBUDR-OAHLLOKOSA-N 429.563 4.668 10 10 IJCE COCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S 2314648095 OCOVXGFWKAEHEO-UHFFFAOYSA-N 441.622 4.627 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](CC)C(=O)O)cc3)SC2=S)cc1 2314929924 UTOLUMLOQVYQLK-GOSISDBHSA-N 427.547 4.897 10 10 IJCE Cc1ccc(CNC[C@]2(NC(=O)OC(C)(C)C)CCC[C@H]3C[C@@H]32)c(O)c1Br 2380810098 UEIOLNFQYMTTKZ-WDUKFBBWSA-N 439.394 4.636 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(O)c1 1908800 HEDLVTUNPHEKAX-XMHGGMMESA-N 426.563 4.793 10 10 IJCE C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1Cc1ccc(N(C)C)cc1 37356547 FEMPZRMHNOBNON-GOSISDBHSA-N 437.975 4.699 10 10 IJCE CC(C)COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 59198158 SZAPURIJYYHXGN-WQRHYEAKSA-N 443.297 4.991 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 745910068 AWDYIMFFXNWHSM-DEOSSOPVSA-N 431.584 4.536 10 10 IJCE CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 801643275 AUQPDRGODZULSN-UHFFFAOYSA-N 435.318 4.776 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 1084391414 ICKYQAMAVWMTTP-MOSHPQCFSA-N 447.535 4.681 10 10 IJCE C/C(=C\C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)c1cnccn1 1435165480 LSPAOKKHTQZJMV-JQIJEIRASA-N 431.471 4.642 10 10 IJCE O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)ccc1O 1860085726 WLZVZRKPHQQRGK-VGOFMYFVSA-N 425.409 4.515 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(F)cc1 1860759538 VKKXFTBARWYDJX-GUYCJALGSA-N 446.544 4.673 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc(Br)c1O 1865667117 GCQUZDAXBVZHBC-MHWRWJLKSA-N 429.314 4.745 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296441557 GRLMJFOHOMPAJA-UHFFFAOYSA-N 447.585 4.837 10 10 IJCE CCOc1ccccc1C=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2296733058 SCYBGBOTJVCPCL-UHFFFAOYSA-N 427.957 4.531 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 2297322334 DBHQRLUKJNFCPL-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734272 QIXLSRKBXVUNKU-UHFFFAOYSA-N 426.397 4.899 10 10 IJCE CCOc1cc(C=C2C(=O)N(C)N=C2c2ccc(OC)cc2)ccc1OCc1ccccc1 2332119610 VLJPEHSOCZEASD-UHFFFAOYSA-N 442.515 4.933 10 10 IJCE Cc1ccc(CNC2CCC(CNC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352684909 BYUMRKCLYOQSFX-UHFFFAOYSA-N 427.383 4.636 10 10 IJCE O=C1NC(=S)S/C1=C\c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 12370128 PTEBZDPUWVVWQU-SDQBBNPISA-N 443.453 4.649 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 13637301 XTSWQQWGLPKRBG-SLSDLSHTSA-N 432.545 4.697 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC 20070967 GGCLGPNZMJWWRI-DFBJGRDBSA-N 432.476 4.660 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33340432 UZSINCNIRZEOGN-DAUMOXEHSA-N 425.531 4.535 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 33735795 BKIHBMAGVCGRDX-USTIKSPLSA-N 434.521 4.864 10 10 IJCE CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccccc4)c3C)n2)o1 97042743 GIFAEDAELQUXNI-UHFFFAOYSA-N 434.521 4.699 10 10 IJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)[C@@H](O)CCCCCN2C 257178586 BXICVTPIIRSPMW-SANMLTNESA-N 435.612 4.993 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526235004 FHJYIAGWEKTNKB-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708072324 GIJPNWIZGQQYOO-XHDPSFHLSA-N 433.774 4.591 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)cc1F 1136730640 WUGLBBGJICHVDB-UHFFFAOYSA-N 435.421 4.875 10 10 IJCE CC(C)N(C(=O)COc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1859888991 BPSNXORPQCCSDG-UHFFFAOYSA-N 433.891 4.936 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)c(OC)c1 1860084972 CTXBGNUIPUOPDM-AWQFTUOYSA-N 440.546 4.610 10 10 IJCE CCc1nc2ccc(C)cc2c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866270960 LLIWIXWXVRWBLC-VWLOTQADSA-N 441.579 4.733 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC12CCC(NCc1cc(Br)cc(F)c1O)CC2 1965972669 OWVDHXYCOYUURK-FXUPRZHBSA-N 443.357 4.609 10 10 IJCE CN[C@H]1C(=O)Nc2cc(N(CCC(F)(F)F)Cc3ccccc3)c(Br)cc21 2152206527 LZUGMDURIDVBDE-QGZVFWFLSA-N 442.279 4.621 10 10 IJCE CC[C@H](N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226276642 GSPYTEZBRJYEDL-LZWOXQAQSA-N 431.346 4.543 10 10 IJCE CCc1cc(C)cc(OCCOc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)c1 2293601562 VMNOMNLJPGMNCT-UHFFFAOYSA-N 443.590 4.855 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccco1 2296398134 VVGINANEOKGBEW-UHFFFAOYSA-N 441.486 4.502 10 10 IJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 2297469786 QNRQUGGVPRDDNV-UHFFFAOYSA-N 435.553 4.768 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 2313681756 MOFPCESOXMFQRT-UHFFFAOYSA-N 436.468 4.660 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 2314740827 OKKCLSBPEMRIEF-UHFFFAOYSA-N 449.594 4.561 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c1 2321720000 CYPZZQRZXDHWIX-UHFFFAOYSA-N 426.563 4.724 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141438 VKXOHGSTRMORIU-UHFFFAOYSA-N 441.871 4.601 10 10 IJCE COc1ccc2ccc(OC)c(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)c2c1 33364424 ZTRPFITYRDPSIX-ATVHPVEESA-N 436.464 4.668 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526542696 STYVEMLFOOKKNT-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 1865678991 OJGCPVOQWYOZEQ-HZHRSRAPSA-N 428.488 4.855 10 10 IJCE CCc1ccc(NCc2cccc(Br)c2O)cc1I 2128689062 WXKFZMFZLALIMJ-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE CCN1N=C(c2ccccc2)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)C1=O 2332113589 MHLZLJORZDAPJZ-UHFFFAOYSA-N 426.516 4.967 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131812 HXXZKKPMDBXRIV-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE Cc1ccc(CNC2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Br 2380807035 WFHMVSOTAOAVSA-KLAILNCOSA-N 439.394 4.588 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 7018084 WTJOAGHHLBJSTO-OLOAGALHSA-N 443.444 4.522 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccc(F)cc1 15044096 ULJDLNBLAVXRMP-RGEXLXHISA-N 444.553 4.932 10 10 IJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccco2)SC1=S 15046527 SCNIFYUCVAWHTO-AHEVQNHNSA-N 426.441 4.527 10 10 IJCE COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1 20071168 POFQXNDYLIIEBH-SQJMNOBHSA-N 444.487 4.738 10 10 IJCE CCOC(=O)C[C@H](NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1 20943401 OQPTXQOWELMALU-DEOSSOPVSA-N 449.551 4.596 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(OCCNCc2cccc(Br)c2O)cc1 312204520 KGSLWVBJLNRNSB-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(O)n2)cc1 586564537 IBWYZADXWDKCBO-UHFFFAOYSA-N 434.451 4.790 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 702071155 JHZHLBXUSKDEIP-NZQKXSOJSA-N 428.418 4.517 10 10 IJCE CCNCc1ccc(N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)cc1Br 719949168 XLZUUNGZWJYDMA-FQEVSTJZSA-N 430.434 4.907 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3Br)C2=O)cc1 1083847872 VUMUWIBAPRQRLN-BOPFTXTBSA-N 448.411 4.786 10 10 IJCE C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1355506210 FNGVYHGAXVBENL-ZRDIBKRKSA-N 436.261 4.860 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4oc(-c5ccc(F)cc5)nc4c3)CC2)cc1 1865776289 RQODWUBMZMBXCZ-UHFFFAOYSA-N 431.467 4.605 10 10 IJCE CCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421673 KKCPSIRQJDNPAT-UHFFFAOYSA-N 435.474 4.974 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(C(F)(F)F)ccc1Cl 1891684558 YXGWOODNPZJYOX-YOEHRIQHSA-N 444.906 4.826 10 10 IJCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351042 HKNJCSNCLHUJSD-QHCPKHFHSA-N 432.480 4.870 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@H](CNCc1cccc(Br)c1O)c1ccccc1 2175016570 HQAHECMPXDMKPR-GOSISDBHSA-N 435.362 4.853 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1cc(C)cc(C)c1 2297347229 KWUKXSZLGOCHGD-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE Cc1cc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)ccc1Br 2321745631 VCUTVPSBMRCBOD-UHFFFAOYSA-N 448.363 4.935 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(OC)c1OC 2332115071 PHINLHGTQVIPFR-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE Cc1ccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(O)c1Br 2381126817 BTIKEPSDJJUFGD-AWEZNQCLSA-N 449.336 4.540 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2381141169 VRKYHARCTCBPKZ-IERDGZPVSA-N 439.394 4.732 10 10 IJCE COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1c(O)ccc3ccccc13)CC2 12167430 IFEFZCZFRIBHJT-DEOSSOPVSA-N 444.575 4.515 10 10 IJCE CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469269 GXYALKQQGPNYBZ-SDMYACPNSA-N 434.536 4.975 10 10 IJCE Cc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c(C)n1-c1ccccc1 302851119 SWZNDNWOEQXLIN-DGXIYAMASA-N 425.536 4.556 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(OCCNCc2cccc(Br)c2O)c1 379957403 VGVXGQKVMWSIGM-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(N2CCCC2)cc1 526372038 IIXUIBLKQHNVER-XMMPIXPASA-N 446.478 4.894 10 10 IJCE CCOc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(OC)cc2)cc1C 1858035771 YQTZBVIFEJHDLZ-UHFFFAOYSA-N 439.533 4.743 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cc2ccncc2)cc1 1860085568 ABBSADSOHDQQRJ-PXLXIMEGSA-N 446.553 4.849 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CCC(NCc3cc(Br)cc(F)c3O)CC2)C1 1923301105 RJMBWLRNUMWYKI-UHFFFAOYSA-N 443.357 4.563 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079048860 XPLQSJCCVWEFAO-HNNXBMFYSA-N 429.261 4.773 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C(=O)O)c1I 2079956773 LLGDCJWIILEXNF-ZDUSSCGKSA-N 442.297 4.631 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12)c1cc(Br)ccc1O 2121236689 PILGWOXEZJOIBQ-QMCVQRASSA-N 425.367 4.593 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 2297350146 ZQPSKHMTRKGMEF-UHFFFAOYSA-N 438.892 4.892 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)N1CCCCC1 2314485662 BDXFGVDPXAAIPM-UHFFFAOYSA-N 444.622 4.612 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1c1cccc(O)c1 2321601586 ILZBZXQUSUFBPX-UHFFFAOYSA-N 442.743 4.920 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2357991380 PHOYEDPVYKSRAD-JGLPAQRISA-N 439.394 4.887 10 10 IJCE COc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)ccc1OCc1ccccc1 59643898 ZUQNAMRGPIIXDT-UHFFFAOYSA-N 430.456 4.631 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 59858628 YFJDGNUIJKXHAY-XKZIYDEJSA-N 444.495 4.733 10 10 IJCE Oc1cccc2c1[C@H](Nc1ccc(I)c(Br)c1)CC2 311795233 AVQXMXNXHJILRS-CYBMUJFWSA-N 430.083 4.859 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1Br 312729448 SHTTYPNDTRRDKY-SFTDATJTSA-N 428.418 4.517 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NCc2cc(Cl)cc(Br)c2O)C1 708193783 WRQBWPRNAKEBJW-ORAYPTAESA-N 445.785 4.687 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)c1O 1170535875 IXRGPOKZHMJSRP-DEOSSOPVSA-N 426.576 4.899 10 10 IJCE Cc1c(OCCCOc2ccc(Cl)cc2)c(=O)ccn1CCCOc1ccc(N)cc1 1857919323 FBLVAGQTMINCAQ-UHFFFAOYSA-N 442.943 4.709 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 1859097058 ZZGMGSFZPXFAEE-OVCLIPMQSA-N 430.464 4.565 10 10 IJCE CCCCc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721745 VIQCVONZQXSICA-UHFFFAOYSA-N 425.754 4.879 10 10 IJCE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 1964062800 HBFGZSNXPYXDKC-AWEZNQCLSA-N 433.774 4.543 10 10 IJCE CCNCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2168789355 LIFVJDBGQCDTOT-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE COC(=O)c1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2314736457 KAMRAOXQNPUIIF-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641534 NQDOOTYJVPMQTJ-IMWIBFENSA-N 425.525 4.954 10 10 IJCE CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)cc1OC(C)=O)N2 169689926 RGBNOSSQZDJADT-IECBHUPTSA-N 435.476 4.540 10 10 IJCE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 745780783 VKFOEHBDBHQLGB-YDHSSHFGSA-N 425.573 4.922 10 10 IJCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 801937173 GFPBRZBVUFXLIG-QGZVFWFLSA-N 433.508 4.541 10 10 IJCE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 1081112814 IHPWMEXRGGJFAX-AUWJEWJLSA-N 439.301 4.943 10 10 IJCE CC(C)(C)OC(=O)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1Br 2079174091 BYHPFWALLORYME-UHFFFAOYSA-N 439.203 4.513 10 10 IJCE Cc1onc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1Br 2175625959 SGQDTXTWYYVTEX-UHFFFAOYSA-N 436.350 4.723 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(Br)c1 2188887334 RTMBQGXNKIPFIW-NFBKMPQASA-N 428.418 4.659 10 10 IJCE N=C1C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297453838 VCZQQMOUTKGJFO-UHFFFAOYSA-N 442.781 4.921 10 10 IJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc4cccc(Cl)c4n3)SC2=S)cc1 2297471650 SCMPNZJVEACMGK-UHFFFAOYSA-N 426.906 4.992 10 10 IJCE O=C(O)COc1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 2314929320 LAAVOMAQZZALII-UHFFFAOYSA-N 440.329 4.863 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=Cc1ccccc1O 2314952126 ULKPFAKZBRSSCA-FQEVSTJZSA-N 441.512 4.919 10 10 IJCE COc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21 14546047 NHJNLFGLHGVUEZ-ZYLNGJIFSA-N 438.593 4.942 10 10 IJCE CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(N(C)C)cc3)c3ccccc3n2)cc1 21662909 PUDNQSVBADTERL-UHFFFAOYSA-N 438.531 4.856 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 33921611 ZUUHKQXYGKTAMQ-VGVSSDJJSA-N 438.357 4.891 10 10 IJCE COC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3C)c2)SC1=S 40938664 WPLIWGWUUDTMER-XSFVSMFZSA-N 441.574 4.728 10 10 IJCE CC[C@@H](N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311310966 WMHXAIIAEDZFPL-DOTOQJQBSA-N 427.383 4.985 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)O)c(Br)c1 382627878 WDYRYCWZXZZTCI-KAMXEHQASA-N 429.358 4.648 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715052845 DAKPJLFXAPGQLS-HFJQGTKSSA-N 429.402 4.993 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058963 SIPROZNIZAWARD-PIPMEXSNSA-N 429.402 4.993 10 10 IJCE Cc1ccc2nc(CN[C@@H](C)c3cc(Br)cc(Br)c3O)[nH]c2c1 756626259 BLOPZDPOOPUTSL-JTQLQIEISA-N 439.151 4.953 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1O 1167750110 SPSSPDRZUQALMG-SFHVURJKSA-N 425.287 4.644 10 10 IJCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(C[C@H](c2ccccc2)N2CCCC2)C1=O 1858594199 PIQMIUMCBSYSCG-LNKKFFRNSA-N 448.617 4.681 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1O 1860074815 PFXMYYMVZPLKRC-OQLLNIDSSA-N 436.352 4.959 10 10 IJCE Cc1ccc2nc(C(C)C)cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c2c1 1866272817 PZVPCRZBGHQTNM-VWLOTQADSA-N 441.579 4.986 10 10 IJCE CC(C)=CCOc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871060055 JZZPPJWLZPESQP-HXUWFJFHSA-N 433.552 4.930 10 10 IJCE CC(C)(C)OC(=O)NCCc1cccc(NCc2cc(Br)cc(F)c2O)c1 1962865137 WHGUXHBXLCGQAP-UHFFFAOYSA-N 439.325 4.973 10 10 IJCE CN1CCN(c2cc(Br)c(OCc3ccccc3)c(Br)c2)CC1 2081153239 ZCRFFIIUXAWPLJ-UHFFFAOYSA-N 440.179 4.542 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2296397851 BMQJGXVAWMZAIP-UHFFFAOYSA-N 443.532 4.917 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 2296885285 NEFOTPNLNALMMC-UHFFFAOYSA-N 426.441 4.528 10 10 IJCE COc1ccc(C=C2SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 2297200056 IQGYIWWBENXKGC-UHFFFAOYSA-N 435.368 4.729 10 10 IJCE COC(=O)c1cccc(COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1 2331589446 FVFGPHATXAXPSL-UHFFFAOYSA-N 441.574 4.909 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 2332127344 OCURZSONIFCRAD-UHFFFAOYSA-N 440.780 4.594 10 10 IJCE COc1cc(NC(=O)c2sc3ccccc3c2Cl)c(N2CCOCC2)cc1OC 20496332 UEGYICCQFSRWMK-UHFFFAOYSA-N 432.929 4.661 10 10 IJCE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)ccc1O 311268977 YYXKCGVTIGTACY-XOBRGWDASA-N 427.383 4.718 10 10 IJCE Cc1ccc(S(=O)(=O)N(CC(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C 586211616 LZGJFMLXJSKUCP-UHFFFAOYSA-N 447.556 4.930 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)CC1 708073288 NQYSLBYRKZVSKV-CQSZACIVSA-N 433.774 4.687 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)CC12CCC2 715825858 GFWWKPCMFCTUCI-HNNXBMFYSA-N 443.357 4.706 10 10 IJCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 742589702 JXZKFGDWVINKIJ-UHFFFAOYSA-N 433.581 4.583 10 10 IJCE CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 745925066 CBYXFXZPSWXHMV-OAHLLOKOSA-N 443.345 4.633 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1 750628598 CONMLXZZCGLALX-UHFFFAOYSA-N 436.556 4.568 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccccn4)nc3O)cc2Cl)C1 800569667 AYUSHDFNJKFBNH-MRXNPFEDSA-N 436.943 4.669 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1603554238 BDARPGWYXOCVSJ-SANMLTNESA-N 444.579 4.732 10 10 IJCE COC(=O)c1c(NC(=O)CCCNC(=O)OC(C)(C)C)sc(C)c1-c1ccccc1 1865957893 RRAWNTXFRHHBSY-UHFFFAOYSA-N 432.542 4.754 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(C=CC(=O)O)c(Br)c2)CC1 1912133881 CHQQMHRQTFFQPX-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2080003933 TVJYHTLLGLWTIP-QGZVFWFLSA-N 432.362 4.508 10 10 IJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124759 NBDRCRQTVLGQLI-UHFFFAOYSA-N 445.313 4.758 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 16689322 VRCIYTFQDVGTKY-UDWIEESQSA-N 429.563 4.894 10 10 IJCE CC(C)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 33417452 WGBIZGWGQDHFJQ-KBFOAYOGSA-N 443.872 4.783 10 10 IJCE Cc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)sc2c1 39874910 YMXFOVUDKWUKFW-SXGWCWSVSA-N 443.550 4.584 10 10 IJCE COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(C/C=C\c4ccccc4)CC3)c2)c1 206216948 CFGFFQDNTBXDKI-TWGQIWQCSA-N 444.575 4.907 10 10 IJCE C[C@H](Nc1ccc(Br)c(I)c1)c1cc(O)ccc1O 311668628 ZFXBXHHGEVLGMT-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715029273 SERSDGCPOFLTKO-WCAVRKLYSA-N 428.418 4.960 10 10 IJCE CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(NC(=O)/C=C/c2ccc(C)nc2)cc1 777861042 MKGXAZCYDMKEEX-KAVGSWPWSA-N 426.520 4.812 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 1460181293 YASJLDRZDZZKDL-JXFKEZNVSA-N 436.980 4.860 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C 1477047424 FIAIXRNICVPHIX-CALCHBBNSA-N 427.520 4.580 10 10 IJCE CCOC(=O)c1c(NC(=O)CCCCO)sc(C)c1-c1ccc(Br)cc1 1866066902 XMTAUCOQEMORJU-UHFFFAOYSA-N 440.359 4.764 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2O)[C@H]1C(C)(C)C 1877308251 WXGBOOGGQQXPTP-RDJZCZTQSA-N 427.383 4.668 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@](C)(NCc2cc(Cl)cc(Br)c2O)C1 1962983023 HHOUDTKOVGFSNT-SFHVURJKSA-N 433.774 4.687 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(N)c2I)cc1C 2079971846 MOIHXGVLFAXXEQ-SFHVURJKSA-N 439.341 4.905 10 10 IJCE CC[C@H](NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2093119782 GCIHOEFFIAIQTD-NKOKBJDDSA-N 425.367 4.641 10 10 IJCE CC[C@H](NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2093119783 GCIHOEFFIAIQTD-QWQDWOJRSA-N 425.367 4.641 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2cccc(Br)c2O)C1 2100260538 ZOJQMPZOCNKUQT-ZBFHGGJFSA-N 427.383 4.718 10 10 IJCE CCN(CC)c1ccc(C=C2SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 2293662197 GTFCOLGRQWQZPD-UHFFFAOYSA-N 434.609 4.634 10 10 IJCE COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)C1=Cc1ccc(Br)cc1 2294082190 PAMZFGBDQNPCCY-UHFFFAOYSA-N 426.310 4.943 10 10 IJCE COc1ccc2[nH]cc(C=C3SC(=S)N(c4cc([N+](=O)[O-])ccc4C)C3=O)c2c1 2321644002 OXOBBDYMKIXIBE-UHFFFAOYSA-N 425.491 4.799 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(O)c1Br 2381130658 BYXIUVJTDXIOPB-GVDBMIGSSA-N 439.394 4.873 10 10 IJCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(F)cc12 13626699 RJEZTUQTZPBOHW-FYJGNVAPSA-N 433.512 4.746 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21 20701832 GLGDCFZKBKRYGZ-AGKSTNPPSA-N 433.335 4.902 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C(O)=NC2=S)cc1C 33334425 RHYKGLMVOCFBCM-BKUYFWCQSA-N 430.533 4.778 10 10 IJCE Cc1cc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Cl 33670245 IVMZREFWEZFQFU-PGMHBOJBSA-N 448.906 4.568 10 10 IJCE Cc1cc(/C=C\C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccccc1 98007504 HOSTXVXLGXYJIQ-DUQGCJEPSA-N 433.596 4.604 10 10 IJCE CCCCOc1ccc(/C=C2/SC(N(C)c3ccccc3C(=O)O)=NC2=O)cc1OC 208344876 BNKXWCLGFKCBBP-XSFVSMFZSA-N 440.521 4.679 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226796308 ZGKBBQZWMCLTPL-LVCYWYKZSA-N 447.398 4.964 10 10 IJCE CN(C(=O)OC(C)(C)C)C1CCC(NCc2cc(Br)cc(F)c2O)CC1 715815705 ZACNQKCOQHOWNS-UHFFFAOYSA-N 431.346 4.562 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3F)CC2)cc1 735576812 GJRBMPXTTNTESV-UHFFFAOYSA-N 444.507 4.535 10 10 IJCE Cc1c(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1N1CCOC1=O 743245317 XGCQHGGLTAWARF-UHFFFAOYSA-N 432.524 4.723 10 10 IJCE CN(c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1)C1CCCCC1 743421376 ALRMESRDHWNAAJ-UHFFFAOYSA-N 448.611 4.701 10 10 IJCE O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 751015410 IQETWARFSDJVCU-UHFFFAOYSA-N 437.908 4.577 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858594080 KNLOIUQVMBUDIR-DOAWATSRSA-N 442.606 4.598 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1O 1860085191 UTZGGKZSECDUSO-OVCLIPMQSA-N 436.898 4.758 10 10 IJCE COCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420396 LLAUCQIVPZDYOS-UHFFFAOYSA-N 449.938 4.586 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3Br)C(C)C)CC2)cc1 1891734904 FMTVGSLQFIHTAY-OAQYLSRUSA-N 445.401 4.621 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079037394 IKSCGVQAMUAYAY-AWEZNQCLSA-N 447.251 4.855 10 10 IJCE CC1(c2nn(Cc3c(O)cccc3F)c(I)c2C2CCC2)CC1 2079701247 CLEPIECGTHUWKH-UHFFFAOYSA-N 426.273 4.700 10 10 IJCE Cc1cccc(CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1O 2204612221 VTIDSDGRJSTVAI-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOc3ccccc3C)c(OC)c2)SC1=S 2297500094 JEZUMFADONFGAG-UHFFFAOYSA-N 429.563 4.683 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 2313501909 NUHBBOSAILYITG-UHFFFAOYSA-N 448.411 4.786 10 10 IJCE Cc1ccc(CN2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(O)c1Br 2380782889 UFALEXWJOWNBLT-DHIUTWEWSA-N 429.402 4.807 10 10 IJCE CC[C@@]1(CNCc2cc(Br)ccc2O)CCCCN1C(=O)OC(C)(C)C 382136928 ZLGJJTIKZZTLRC-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CC[C@H](N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 382446878 KANXFJPUGKPXDT-KMFMINBZSA-N 427.383 4.889 10 10 IJCE Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C)n1-c1ccccn1 726537865 QPKAIMAENYIEHY-LJQANCHMSA-N 445.498 4.698 10 10 IJCE COC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1 756702688 CNAFBDCRGHEMJY-BZNIZROVSA-N 429.152 4.956 10 10 IJCE Cc1c(OCCOc2cccc3ccccc23)c(=O)ccn1CCCOc1ccc(N)cc1 1857919598 OCPXJNUKFRMSQO-UHFFFAOYSA-N 444.531 4.819 10 10 IJCE CCOC(=O)CCOc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870876885 PIPKEAOKXCKENN-UHFFFAOYSA-N 435.524 4.556 10 10 IJCE CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422576 DNSWSIUJCSWAFU-UHFFFAOYSA-N 439.437 4.723 10 10 IJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)c(O)c1 2079847053 MYKXLVIYCRNVMR-KRWDZBQOSA-N 425.367 4.785 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(Br)cc2O)CC1(C)C 2115821345 VMSBNZZOKDYLNH-AWEZNQCLSA-N 427.383 4.670 10 10 IJCE CN[C@@H](C)c1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1Br 2234703239 QPAPJWBUDYQITC-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280345100 USDUCTWBDSRDLX-NSHDSACASA-N 445.142 4.710 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCc1ccccc1 2293452783 DQZSXJASCIRQHC-UHFFFAOYSA-N 442.471 4.779 10 10 IJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl 2294216986 WKYOADGFRDMZIU-OAHLLOKOSA-N 442.968 4.965 10 10 IJCE Cc1cccc(C2=NN3C(=N)C(=Cc4cccn4-c4ccc(F)cc4)C(=O)N=C3S2)c1 2297346714 XZYGFLUEKMPHIT-UHFFFAOYSA-N 429.480 4.592 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(=Cc2cccc(Cl)c2)O3)cc1 2297384874 OXJIFNBQJPQUCA-UHFFFAOYSA-N 447.922 4.708 10 10 IJCE O=C(CCCN1C(=O)SC(=Cc2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 2297450058 JQYDWIFEFYUJLG-UHFFFAOYSA-N 426.519 4.641 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1OCC 2321683247 MIHILPRNUNYTQX-UHFFFAOYSA-N 442.562 4.848 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638846 PGLHIPQGTYVVLQ-LQWHRVPQSA-N 447.398 4.962 10 10 IJCE CCN1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cc(Br)ccc1O)N2 65298087 RGKXEYCJQYVAHQ-NRFANRHFSA-N 442.401 4.799 10 10 IJCE biogenic COc1ccc(CCN2C(=O)/C(=C\c3ccnc4ccccc34)SC2=S)cc1OC 97514612 RGNFKKSPCNOVJD-KGENOOAVSA-N 436.558 4.696 10 10 IJCE CCCCOc1ccccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 101384596 KIPLNKDFUOGDBF-NKFKGCMQSA-N 435.593 4.654 10 10 IJCE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Br)ccc1O 311268972 YYXKCGVTIGTACY-VBKZILBWSA-N 427.383 4.718 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526231347 DMCBSOMQDWWSEN-XMMPIXPASA-N 447.487 4.735 10 10 IJCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(Cc1ccccc1)Cc1ccccc1 798969888 VFGVIQYBCYBAAZ-UHFFFAOYSA-N 442.603 4.613 10 10 IJCE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 1858034013 UILFICJSXUHTPG-UHFFFAOYSA-N 448.544 4.511 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 1858594292 SUACDNFFLSYZDE-XPFMCRKWSA-N 439.562 4.633 10 10 IJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2 1859572312 YMPHIMTYRBHNEW-UHFFFAOYSA-N 447.969 4.802 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(O)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866410382 LQSVWEMNXSIKMB-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE COc1ccc(O)c([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951650227 DTGMRCMNPNJYEX-HSZRJFAPSA-N 447.487 4.845 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc2c(c1)CCCN2C 2044757820 DANPCSQYBOCLSZ-NTUVXCKYSA-N 439.600 4.567 10 10 IJCE CN(Cc1ccccc1O)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2180688873 MMPQRLZPPPMJJW-UHFFFAOYSA-N 435.318 4.774 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(Br)c1 2186719393 DIQAFUGQVGITJM-KUHUBIRLSA-N 442.323 4.722 10 10 IJCE CC[C@@H](NCCOC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2295844489 IOZDAABRNCZAOO-MRXNPFEDSA-N 445.398 4.515 10 10 IJCE COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O 2314837003 MVZMXMNDNIOLTO-UHFFFAOYSA-N 447.607 4.552 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)c1)C(=O)O 2314931199 MFSKJYYMCGBXHC-KDOFPFPSSA-N 427.547 4.891 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 2321629577 BLBBDYYYLLHJMP-UHFFFAOYSA-N 443.550 4.855 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114740 MBWVTAHENBPFLC-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 32983639 VHAOFMZFOPBAAR-YDZHTSKRSA-N 447.922 4.708 10 10 IJCE CCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33313512 DHFPHGAEDCLYMQ-YRAILMQZSA-N 439.558 4.925 10 10 IJCE O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc2c(c1)OCO2 59104917 RVXRJFYTYIDGPQ-NDENLUEZSA-N 442.427 4.501 10 10 IJCE O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1)=NO[C@H]2c1ccc([N+](=O)[O-])cc1 59475612 CDZFDNMXZXCSEY-QFIPXVFZSA-N 432.819 4.789 10 10 IJCE C[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708072619 GWBHQZFRXODLKM-SMDDNHRTSA-N 433.774 4.686 10 10 IJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1F 731346059 PKYFROWNNIUWHR-UHFFFAOYSA-N 440.588 4.814 10 10 IJCE [N-]=[N+]=N[C@@H]1C[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](COC(=O)c2ccc(Cl)cc2)O1 1076027142 AQYLQBCFWAUETR-IKGGRYGDSA-N 436.251 4.801 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 1473503096 FLOMRNZALQTXQT-QZTJIDSGSA-N 434.552 4.593 10 10 IJCE CC(=O)c1cc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)ccc1C 1546150892 ZQICESMDGMGMRU-UHFFFAOYSA-N 441.575 4.815 10 10 IJCE CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCc1nnc(O)s1 1643527289 XJGOEDQEBRHVIE-UHFFFAOYSA-N 425.377 4.818 10 10 IJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1OCC 1858589428 QADYPZOORIBNAI-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865678117 UWHCHZHXZUOPIW-LCYFTJDESA-N 440.175 4.706 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc(F)ccc1O 1952818731 LHARNJZDKZGIAJ-RDPSFJRHSA-N 447.462 4.928 10 10 IJCE CC[C@H](NC[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2094156410 PKVLAFIHIXBRCT-COXVUDFISA-N 427.383 4.841 10 10 IJCE Oc1c(F)cc(Br)cc1CNCC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2159208425 KNFVXMZHAWYWOU-XGSMCBPESA-N 433.365 4.827 10 10 IJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1cccc2ccccc12 2293628349 WHAHOCZQRKDPAR-UHFFFAOYSA-N 432.501 4.534 10 10 IJCE Cc1ccc(CN[C@@H](C)c2ccc(I)cc2)c(O)c1Br 2380812469 VYMSTMKXIZDYPM-NSHDSACASA-N 446.126 4.919 10 10 IJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(-c2nccnc2N2CCCC2)c1 33313012 BTIBQNNJQKKRJZ-UHFFFAOYSA-N 441.579 4.664 10 10 IJCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 35263022 OFQAEYCVUHQPGH-FHXOWUIVSA-N 447.965 4.682 10 10 IJCE C[C@H](NCc1cc(Cl)cc(Br)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 708203720 IPZRPSPZXJQDHM-LBPRGKRZSA-N 447.801 4.933 10 10 IJCE CCOc1ccc(OCC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1 1859891451 CMNSWIKQYLVJFM-UHFFFAOYSA-N 443.499 4.681 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1OCC 1860087043 WTMWLTGWQSFHPY-XDHOZWIPSA-N 445.562 4.907 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCCN2C 2044731773 XNWGOXLHLQMQQO-NWVWQQAFSA-N 440.584 4.601 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079993817 XRXCHJPYINEYCO-KRWDZBQOSA-N 439.350 4.905 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2ccc(I)cc2)cc1Br 2280332943 JSNZZNCOQXXUDW-NSHDSACASA-N 446.126 4.743 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cccc(OCCOc4cc(C)cc(C)c4)c3)C(=O)N=C2S1 2297310338 CDVYZHCROMYVFI-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N2O1 2297347613 NMXADKBDHGKUNI-UHFFFAOYSA-N 431.492 4.602 10 10 IJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S 2314739898 BEOXGGSAJDRWSF-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932340 MKOVKWOBZPHTNJ-ZIAGYGMSSA-N 443.546 4.510 10 10 IJCE CCOc1ccc2c(c1)c(C)c(C(=O)N1CCN(CC=Cc3ccccc3)CC1)n2CC 2322747883 BSPOUMLUCGQUSI-UHFFFAOYSA-N 431.580 4.840 10 10 IJCE Cc1ccc(O)c(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 2332105203 IEAFMKQFSGLSPT-UHFFFAOYSA-N 425.204 4.812 10 10 IJCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C)c(Br)c1O 2352681900 XLXUVSFHWXVHEQ-GDBMZVCRSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNc2ccc(F)cc2I)c(O)c1Br 2352942190 AYJCMQYADFFTEL-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 33710001 ARSKNQKSDJVSIO-ONNBZHDSSA-N 425.897 4.575 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cccn3CCOc3ccc(C(C)(C)C)cc3)C(=O)N=C2S1 96454044 HIOPLWMGNUPYEA-NSRJHJJVSA-N 449.580 4.894 10 10 IJCE COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c2C)cc1Cl 103801821 AGAQJBASUHDLHW-PJXGODPKSA-N 442.928 4.542 10 10 IJCE NCc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163326975 OPIYQGPROXHRBQ-QFIPXVFZSA-N 432.381 4.539 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cccc(Br)c2O)CCC12CCC2 2225555240 KAYGQXVSDMGMMK-HNNXBMFYSA-N 425.367 4.567 10 10 IJCE C[C@H](CCNCc1cc(Cl)cc(Br)c1O)CCNC(=O)OC(C)(C)C 2256658821 NDDZZHZYQAINEX-GFCCVEGCSA-N 435.790 4.839 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2323831831 IVTUVNYFJHYVDT-UHFFFAOYSA-N 427.979 4.571 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)ccc3F)C2=O)cc1 2332129764 LFSKUSKKIHLXQW-UHFFFAOYSA-N 443.194 4.945 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@]2(C)CNC(=O)OC(C)(C)C)c(O)c1Br 2352685196 VLODPISQDGHPPN-MGPUTAFESA-N 427.383 4.636 10 10 IJCE O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10912689 IGTKLRAAICOKRE-SANMLTNESA-N 438.483 4.749 10 10 IJCE Cc1ccccc1N1C(=O)/C(=C2/C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 33719653 RBFJAEVURWEERP-MRCUWXFGSA-N 449.601 4.561 10 10 IJCE C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 920880497 BPDPXSJCANGVEL-OAQYLSRUSA-N 430.548 4.507 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)ccc1OC 1860087766 SKBJWKAYYNANKY-DJKKODMXSA-N 431.535 4.517 10 10 IJCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCc2cc(C(C)=O)ccc21 2330189162 QETWPPJPELZEGU-UHFFFAOYSA-N 438.528 4.585 10 10 IJCE Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(O)c1Br 2380783738 PENWQPOPUYRSJZ-TZIWHRDSSA-N 429.402 4.950 10 10 IJCE CCC(=O)OCCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 9641289 NYWIDXLRBWTWLW-OAHLLOKOSA-N 433.508 4.641 10 10 IJCE O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NCCN4CCCCC4)c1c23 9641311 MIMHXQFTSKALAY-UHFFFAOYSA-N 430.552 4.927 10 10 IJCE Cc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 15035674 SHBFBPNMEOYMRV-YBEGLDIGSA-N 436.480 4.854 10 10 IJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3ccccc3)C2=O)cc1 15038932 FIIOXEVWEYPQLP-HKWRFOASSA-N 438.618 4.892 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 98031537 LRNASMMNPIBKLP-BIRYMOPTSA-N 443.546 4.511 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 401528615 VGHLNUQTWFNTKG-WBVHZDCISA-N 427.383 4.983 10 10 IJCE COc1ccc(-c2cc(C(N)=O)c(CNc3ccccc3)n2-c2ccccc2)cc1OC 606654494 DTAIEEAXHNFXLH-UHFFFAOYSA-N 427.504 4.873 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 708124219 DJXGHRWUWXXRCK-ZIAGYGMSSA-N 433.774 4.590 10 10 IJCE O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CC2(CC2)c2ccccc21 739609982 HZUBETUOTALDST-QGOAFFKASA-N 440.615 4.808 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)c1 745780396 SQALPCPHFYUPTA-HXUWFJFHSA-N 445.563 4.759 10 10 IJCE Cc1cncc(/C=C\C(=O)N(C)c2ccc(NC(=O)/C=C/c3cncc(C)c3)cc2F)c1 772153357 SDMSCGXPTSFTSG-HXGSSHHBSA-N 430.483 4.561 10 10 IJCE CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)c1ccc(OC)c(OC)c1 1644917017 CZPPCOPMSSIEPJ-UHFFFAOYSA-N 439.581 4.833 10 10 IJCE O=C(Cc1noc2ccc3ccccc3c12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859616576 REDXVHIRTREPPS-UHFFFAOYSA-N 432.435 4.938 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(N)c1I 2079998288 OZELLCAJLFIUDV-CQSZACIVSA-N 425.314 4.659 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(Br)c1 2187740702 JTQDWOGTBNGHHQ-CUWPLCDZSA-N 428.418 4.830 10 10 IJCE Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1 2293311819 HEPUBUPKYBNKQB-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932898 PUIIVPOIBFRDEK-LLVKDONJSA-N 449.937 4.606 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2381136701 IJMXJDRHQPBCPD-HZPDHXFCSA-N 439.394 4.636 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2nccs2)C1=O 1148334 LADVBHYUTGYQCV-BCNCFIKKSA-N 429.592 4.710 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3cc(C)ccc3C(=O)O)=NC2=O)cc1OC 210546800 VJLBMXBQWZPOFJ-DEDYPNTBSA-N 440.521 4.963 10 10 IJCE C[C@H]1CN(C2=NC(=O)/C(=C\C3=Cc4ccccc4O[C@H]3c3ccccc3)S2)C[C@@H](C)O1 256019058 IHLSEVPMTLNXFC-ZOPDSGTKSA-N 432.545 4.826 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526506167 KRFCJOHQGSKWOF-DEOSSOPVSA-N 446.503 4.620 10 10 IJCE COc1ccc(O)c([C@@H](C)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 705694426 BWYWLNDDPCDBOB-OAQYLSRUSA-N 432.564 4.523 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741212118 GVQDIYPTTJFZLP-RBUKOAKNSA-N 436.499 4.558 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1c1ccc2c(c1)OCO2 1860074733 HZWAUPOFELSSJS-PJQLUOCWSA-N 438.299 4.723 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OC 1860087472 ACEQIJDARQYXMH-KEBDBYFISA-N 445.562 4.907 10 10 IJCE Cc1ccc(S(=O)(=O)n2cccc2C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1 1865961113 RNBRXDHHQPONPQ-UHFFFAOYSA-N 447.516 4.660 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(OCC)c3)SC2=S)cc1 2040489020 FKIBDTDKJNGKMV-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2078978652 ZDJPZXPHHWZNMP-KRWDZBQOSA-N 442.341 4.753 10 10 IJCE CN[C@@H](C)c1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2149559674 AAMQZQIEMOYABZ-INIZCTEOSA-N 438.360 4.687 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2c(O)cccc2Br)CCC12CCC2 2225559007 JMIUAUBIGREDFM-CQSZACIVSA-N 425.367 4.567 10 10 IJCE CCOc1cc(C=C2C=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)=O 2294253359 GJLVKXMZIAQXSP-UHFFFAOYSA-N 429.266 4.754 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 2297303025 JPKLQHJBICCPQZ-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N(C)C2=S)cc1 2297460004 YDIPJBUMPFJTDE-UHFFFAOYSA-N 443.572 4.884 10 10 IJCE CCCCCCOc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OCC 2314769783 VGUFPTMSMOILAC-UHFFFAOYSA-N 437.583 4.720 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)c1 2321738566 RXIQKFCQOACFKE-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130625 IPZDXFNPZNPBGI-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12)c1cc(Br)ccc1O 2355657245 KDOLRPPMZSCNEL-NRSFXHEJSA-N 439.394 4.983 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15045400 XPOSSHIQVGBNLL-IEMQHYRPSA-N 447.379 4.678 10 10 IJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)cc2c1 38732297 RXOCZDZCMNNIKC-ZHZULCJRSA-N 441.622 4.627 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(-c3ccsc3)n2)cc1 105038824 WEPBKGPWLONRMF-IBGZPJMESA-N 427.595 4.759 10 10 IJCE CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)c1C 109172427 RJWMZFXFGXCYFH-UHFFFAOYSA-N 443.544 4.946 10 10 IJCE COc1cc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 205954158 RFMZVTUBTKTWEL-HAVVHWLPSA-N 443.503 4.849 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 206255928 UGFYXHPRNSCRAI-CPNJWEJPSA-N 443.546 4.676 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 526333507 OOHKAGBVFKICFC-JOCHJYFZSA-N 433.533 4.830 10 10 IJCE Cn1ccnc1C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1 745910112 BIGKPGJKUFSDDY-QHCPKHFHSA-N 432.568 4.954 10 10 IJCE COc1ccc(OC)c(N2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)c1 1860084788 LGOVQGAJIGJQJW-UFWORHAWSA-N 426.519 4.600 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(C3CC3)C2=O)cc1 1873422417 WOIUTQHOIYPHNW-UHFFFAOYSA-N 433.458 4.727 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2044747228 AXEZDBOYUPEYMH-VEXUSMLFSA-N 441.616 4.902 10 10 IJCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CNC2CC2)cc1Br 2153292801 TTXFUWQXSDGMCY-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNCc1cc(Cl)cc(Cl)c1O 2159036537 SEGXZIKOVSLPMX-QGZVFWFLSA-N 425.303 4.823 10 10 IJCE CN1CCc2cc([C@H](O)c3ccc(NC(=O)OC(C)(C)C)c(Br)c3)ccc21 2163074727 VQPUVTOOVLSZMZ-IBGZPJMESA-N 433.346 4.870 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2cccn2C)cc1 2332128924 RURSMJYVYNXIQD-UHFFFAOYSA-N 436.309 4.631 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131968 ZVVGAGQCMFBIMP-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134797 LINBJIKHGFGYLF-UHFFFAOYSA-N 428.488 4.548 10 10 IJCE CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381134332 ARCBVZQRAPLMLT-HXUWFJFHSA-N 443.382 4.505 10 10 IJCE Cc1ccc(Cc2cnc(NC(=O)CCCCCN3C(=O)[C@@H](C)SC3=S)s2)cc1 11636561 UFPIGGSPTPTACC-OAHLLOKOSA-N 447.651 4.790 10 10 IJCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 13881260 PPFWKASQLZTQHA-HMAPJEAMSA-N 442.471 4.729 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21 14467848 GLGDCFZKBKRYGZ-WAWZGNHOSA-N 433.335 4.902 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\C(Cl)=C/c1ccccc1 139664505 BDSFDYJKSPUQOL-BJOFFIMRSA-N 427.932 4.741 10 10 IJCE CCC[C@@]1(CNCc2cccc(Br)c2O)CCCN1C(=O)OC(C)(C)C 311742967 XWRIIXIQEBZUPL-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 312729445 SHTTYPNDTRRDKY-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@H]2c2ccc(O)c(O)c2)c1 526183556 FSIIKZVUQXCVST-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE NCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1Br 691899810 XANHHEBHJILTLB-UHFFFAOYSA-N 428.418 4.790 10 10 IJCE C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(N2CCCC2=O)cc1 726243817 KMGZKRPKLRFMCG-GOSISDBHSA-N 433.508 4.585 10 10 IJCE COc1ccc(O)c([C@H](C)NCCCC(=O)Nc2c(C)cc(Br)cc2C)c1 782051752 CXMVNNOPJOIWEU-HNNXBMFYSA-N 435.362 4.850 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865676430 BXHBQRCFZAISBD-ZROIWOOFSA-N 440.175 4.706 10 10 IJCE Cc1cc(C=CC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccc1 2040500683 LGSNOLPWJZCZNC-HSZRJFAPSA-N 443.595 4.831 10 10 IJCE CC[C@@H](N[C@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2161555451 LVOMVXSLVBBBEI-NONVJHHQSA-N 439.394 4.841 10 10 IJCE COc1ccc(Br)c(CNc2ccc(C)cc2I)c1O 2240648464 GGQJIMOZTSJOKE-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C 2294037413 BRXMBGITQONWKG-HSZRJFAPSA-N 448.563 4.563 10 10 IJCE CC(C)Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 2314764890 ONZLRFXGDMUHOV-UHFFFAOYSA-N 432.954 4.673 10 10 IJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(OCC)c2)SC1=S 2314769872 WLGJEJHQCWLUGN-HXUWFJFHSA-N 441.574 4.981 10 10 IJCE Cc1cccc(NC(=O)CCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)c1 2314828147 QUKNUZDJHRFNET-UHFFFAOYSA-N 432.954 4.584 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1nccs1 2314836569 GVJBNEAFELCSPL-UHFFFAOYSA-N 435.571 4.683 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1)C(=O)O 2314929252 JWSOZYADCZTEBM-GOSISDBHSA-N 441.530 4.537 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc([N+](=O)[O-])c1O 2321569938 FGCKCHUTHXWNQT-UHFFFAOYSA-N 436.898 4.677 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 2321629488 YEZGBIGXEWYDIN-UHFFFAOYSA-N 426.563 4.632 10 10 IJCE Cc1ccccc1C(=O)NCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10913445 SENCUIXHQJKCPZ-HHHXNRCGSA-N 438.527 4.880 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465578 LCJPYXXTZXYWQZ-UDSSINMLSA-N 444.984 4.624 10 10 IJCE CCN1CCN(c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])CC1 101470485 NZFALOYGSIKEBU-CYYJNZCTSA-N 432.488 4.686 10 10 IJCE Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)cc1 223382404 ODJCIRWAGSBFMU-XMMPIXPASA-N 426.520 4.705 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226635610 GUNDFKAFJXMUNN-IMWIBFENSA-N 434.536 4.775 10 10 IJCE FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 754784177 CWEIRNGJPRLTCH-WZONZLPQSA-N 434.502 4.800 10 10 IJCE Cc1nn(C(C)(C)C)c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 1859707652 XKESQBROIGWQHR-UHFFFAOYSA-N 438.487 4.522 10 10 IJCE CCN(Cc1ccccc1)c1ccc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)cc1 1865674844 AYVYIJYVGFPZEI-XIEYBQDHSA-N 425.532 4.981 10 10 IJCE CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422828 REIOQRVEVUZHRN-UHFFFAOYSA-N 444.491 4.523 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148938790 LAKKAWZMIPWLAX-CUWPLCDZSA-N 428.418 4.817 10 10 IJCE COc1ccc(Br)c(CNC[C@@H]2CCCCN(Cc3ccccc3)C2)c1O 2236051066 NRHBJGVCDFQOCM-SFHVURJKSA-N 433.390 4.555 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 2243927937 ANLUVAHXQPWUAL-SFHVURJKSA-N 447.539 4.854 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 2294259033 CEDILOLVJVLNQV-UHFFFAOYSA-N 426.428 4.853 10 10 IJCE O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2296741768 UEKZKCGDCOGBDR-UHFFFAOYSA-N 445.881 4.944 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cc1OCC 2332106778 DWBTUVILFNBYQF-UHFFFAOYSA-N 434.414 4.841 10 10 IJCE Cc1ccc(CN[C@H](C)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352952903 QNMMSRNCVSFACN-FMKPAKJESA-N 427.383 4.635 10 10 IJCE CC[C@H](NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355429638 BETZHWFSXCWYFV-DHXZDTOLSA-N 439.394 4.983 10 10 IJCE CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380760236 VZIAYNAWWMHETR-HNNXBMFYSA-N 443.382 4.505 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Cl)cc2)C1=O 15039451 IFFNCTJYSWIGMC-AQTBWJFISA-N 446.981 4.969 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2ccccc2)cc1 33247666 MEVABVAPVJZIJB-QXHVWWCLSA-N 432.545 4.562 10 10 IJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 40940116 CSPYVYBTVCLYAF-BOPFTXTBSA-N 432.954 4.675 10 10 IJCE CCOc1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc1 96462424 HFWGCUJYZILZAT-CJLVFECKSA-N 429.476 4.945 10 10 IJCE CC[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586622303 ISCAFVXZJSXGQB-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE c1ccc(Cc2nc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)no2)cc1 731563500 BHHBZLHHMVEKKR-HXUWFJFHSA-N 432.549 4.995 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(Cl)cc1 1860646214 LJJDFVLNHKOHHE-INIZCTEOSA-N 448.972 4.751 10 10 IJCE CCCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC 1860759295 SCBSBPCKLHKLBX-UHFFFAOYSA-N 434.533 4.674 10 10 IJCE CCCCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1CC(C)C 1862330170 WHDPLDBPVSIJLE-UHFFFAOYSA-N 429.520 4.909 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1866060593 SVNIGHKHYYDMMA-NRFANRHFSA-N 441.453 4.608 10 10 IJCE CC(C)[C@@]1(NCc2c(O)cccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2274287487 IBRUKOLODJNXPK-HXUWFJFHSA-N 427.383 4.670 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 2296756185 ITHARBSRXLBIMP-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1)C(=O)O 2314930103 XQBPJJURWSWISD-GOSISDBHSA-N 441.530 4.537 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2380794924 GDRIFBBQYGGZEA-OAHLLOKOSA-N 441.410 4.978 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1Br 2381134423 CBYBTNXIARUEGH-IXDOHACOSA-N 439.394 4.588 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 20211177 VEUHYYMJJRLXED-NCNWTYLVSA-N 425.517 4.648 10 10 IJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cc(Cl)ccc1O)N2 65297961 ORLYXTWNAYWBCZ-FQEVSTJZSA-N 427.932 4.518 10 10 IJCE biogenic CN(C)c1ccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 686851851 BCCJAVFMPNVNSQ-HHHXNRCGSA-N 444.531 4.981 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 717442257 NRUVBLMLBPKVKL-SLYNCCJLSA-N 428.418 4.973 10 10 IJCE COc1cc(C)cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C 785763452 FCAJRWNXZUDNIZ-LDADJPATSA-N 446.619 4.994 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@H](NCc3ccc(Br)cc3O)C2)CC1 1254733677 NGMIUQNWDPAJOQ-KRWDZBQOSA-N 439.394 4.814 10 10 IJCE Cc1cc(I)ccc1/N=N/N1CCCN(C(=O)OC(C)(C)C)CC1 1860486514 HYZVHQKDSQXOER-FMQUCBEESA-N 444.317 4.541 10 10 IJCE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cccc(Br)c2)cc1 1865656952 YFQWFLSZYIYABG-XMHGGMMESA-N 434.293 4.687 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)cc1 1927428309 FJWKEDZFQYOECX-RPWUZVMVSA-N 448.494 4.755 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1984695174 PGEFSBFFOQBAKT-UZUQRXQVSA-N 447.539 4.709 10 10 IJCE COc1cccc(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c1O 2079719112 KISZIEQQRRUOKQ-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2137359209 VVDHHVVPZFJANQ-HPGNRBDVSA-N 445.785 4.590 10 10 IJCE CC[C@@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 2164300255 BMTOXBAAGUPCQL-RHSMWYFYSA-N 439.394 4.985 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1=Cc1cccc(Cl)c1Cl 2294034672 UCMGATASUZZKCY-UHFFFAOYSA-N 432.303 4.875 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1OC 2296883071 MJUIPTSRAGNMJR-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CC(=C1SC(N2CCN(c3ccccc3)CC2)=NC1=O)c1ccc(Br)cc1 2314557501 KENIESPASVVNRY-UHFFFAOYSA-N 442.382 4.632 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccc(O[C@@H](CC)C(=O)O)c3)SC2=S)cc1 2314930409 CQVQUUVIJHRJBF-SFHVURJKSA-N 443.546 4.733 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)c1)C(=O)O 2314931359 NDHXYAHMOBYESC-SFHVURJKSA-N 427.547 4.951 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099675 SZLGLADPJMOABZ-UHFFFAOYSA-N 428.488 4.548 10 10 IJCE Cc1cccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 33713345 OFICWQGIDQSADK-JNCKMBBWSA-N 448.548 4.728 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526296118 FETSSXPIQLDABX-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CC(=O)c1nn(C(C)C)cc1OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1473085333 IIFXGGGIOCFLAF-UHFFFAOYSA-N 445.466 4.937 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1597090393 XUMLTAJAMJZBHE-QTXHJTIISA-N 435.442 4.902 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 1858593966 FXULVTXFQPMPFZ-DOAWATSRSA-N 442.606 4.598 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087769 SNLUZPTWKNSUEP-VIZOYTHASA-N 425.409 4.720 10 10 IJCE Cc1ccc(C)c(CN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873167170 VGXHGOFIZKMKBY-UHFFFAOYSA-N 439.559 4.743 10 10 IJCE COc1ccc([C@@H](C)n2ncc(C3CCCCC3)c2I)c(O)c1 2070321664 MHALUQPRCZSKJT-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE CN(C[C@H](O)c1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2169702032 LWCIEQRGEMETSA-IBGZPJMESA-N 435.362 4.644 10 10 IJCE CC[C@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271312624 KLULFBJSINEXEC-XOKHGSTOSA-N 427.383 4.983 10 10 IJCE Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 2296661362 QDOOIEIYDROOML-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c(O)c1Br 2380803277 DKWXSGLUZPXMEG-INIZCTEOSA-N 439.394 4.875 10 10 IJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 2695311 RCZRGXKCCQVRPR-LQOIVRHRSA-N 447.585 4.920 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)c(OC)c1 20071113 RLUQDFPZOBALDB-RLWLMLJZSA-N 446.503 4.969 10 10 IJCE CC(=O)N1CCC(Cc2ccc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2)CC1 581805473 JAMPNAMXNHMABO-UHFFFAOYSA-N 447.623 4.654 10 10 IJCE CCc1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1083994687 CHLOIWFNTWDDGP-UHFFFAOYSA-N 438.347 4.917 10 10 IJCE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)C1 1705918158 DJBTZJXETNDTKF-SFHVURJKSA-N 441.626 4.674 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865679968 PWVMRVJUIZGTGJ-ZROIWOOFSA-N 440.175 4.706 10 10 IJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@H](C)C4)nc(C(C)(C)C)n3)CC2)cc1 1867967632 DFYGBRIAOHOJTC-PMACEKPBSA-N 437.632 4.592 10 10 IJCE COCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419916 FMYANAIHVBPKIE-UHFFFAOYSA-N 443.547 4.549 10 10 IJCE C[C@@H](CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)C(=O)OCc1ccccc1 2044375345 KWQIHFQOKRQMPD-IBGZPJMESA-N 438.568 4.843 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1 2293993120 FIYSTKFJRAUHSI-UHFFFAOYSA-N 439.544 4.956 10 10 IJCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)N=C2C)c1C 2294034190 LXSCQEJIDHMDDA-UHFFFAOYSA-N 430.464 4.817 10 10 IJCE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C2SC(=S)NC2=O)cc1 2295360297 XFSTVGVXRSCETM-UHFFFAOYSA-N 441.965 4.749 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)CC1 2318684246 VSEUYNHNMFHQIP-UHFFFAOYSA-N 445.393 4.816 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)ccc1O 2321744041 GNQWZNAGNQQNPC-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@H]32)cc1 14461659 SOSOCRGBIRWYLQ-IMSXRSKXSA-N 425.598 4.610 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469248 AOBHQDCUPNLYNE-FHAGJXEFSA-N 434.536 4.929 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O 19880598 FJBMISFCELXADP-MHWRWJLKSA-N 436.352 4.959 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC 20070976 GGCLGPNZMJWWRI-KBMIEXCESA-N 432.476 4.660 10 10 IJCE Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 206855735 PELOUCRLRNCGFI-CPNJWEJPSA-N 427.547 4.640 10 10 IJCE Cc1cccc2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCOCC3)nc12 208278927 YYNFSSHSMZOWKH-XMHGGMMESA-N 439.606 4.524 10 10 IJCE CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032483 IXELLRSMHGEUBP-UDWIEESQSA-N 449.557 4.879 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526142984 RQMPANRCZLFUGW-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526278977 GSQDEVXDIGUPGQ-QHCPKHFHSA-N 445.471 4.640 10 10 IJCE CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693545 TXKCTAQZBBFTLY-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE Brc1cc(CNc2cccc(CN3CCOCC3)c2)ccc1N1CCCCC1 1560389355 OZRDJNBGHWELKC-UHFFFAOYSA-N 444.417 4.884 10 10 IJCE O=C1/C(=C\c2cc(Br)ccc2O)C(C(F)(F)F)=NN1Cc1cccc(F)c1 1865671904 HDUMURZXDTUDND-ZSOIEALJSA-N 443.194 4.638 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNCCc1ccsc1Br 2130152069 ODWDYEOYNUEXOF-UHFFFAOYSA-N 425.573 4.964 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C)c1C 2294037478 JJSDAJSEUWSAMA-UHFFFAOYSA-N 430.504 4.868 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 2294137672 WEDREYDGIYBDFF-UHFFFAOYSA-N 425.488 4.819 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3OC)C2=O)cc1 2296753955 GUDKEJLQNOKNMJ-UHFFFAOYSA-N 440.590 4.878 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 2314932529 NMDAAYUJKMFKGM-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 2326973101 BHNHQDOEDVINIM-UHFFFAOYSA-N 426.563 4.632 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 13645214 RQQBBQZQABGLOZ-ZEVJAHDQSA-N 432.612 4.651 10 10 IJCE CCOC(=O)C[C@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1 20943419 PQPOMNQNEUVMAB-DEOSSOPVSA-N 433.552 4.896 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 27531631 ZYPMCHPPMPSRHO-DEDYPNTBSA-N 429.563 4.601 10 10 IJCE CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OCC 83331691 OBMVNTIRZKCNES-RCCKNPSSSA-N 435.520 4.747 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526252981 OQKOXLWOATWNLY-XMMPIXPASA-N 447.487 4.789 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 708077224 QARKSONZHWKEGG-QKYXUNIQSA-N 435.793 4.808 10 10 IJCE CC(=O)c1cc(F)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)c1O 1308048628 AXQNMSOLXBOVMK-MRXNPFEDSA-N 428.504 4.753 10 10 IJCE CC(=O)c1cc(F)cc(CN2Cc3cc(Br)ccc3OC3(CCC3)C2)c1O 1620591564 JKJJRVVAYCEQCV-UHFFFAOYSA-N 434.305 4.814 10 10 IJCE CN(Cc1ccccc1O)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1635658239 MLINFEFLIKKTHT-UHFFFAOYSA-N 444.531 4.668 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1858594430 YYUBDCNQHUINHP-YLQKULKDSA-N 437.464 4.603 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1858596054 NOYULRCSOGHZDD-DTQAZKPQSA-N 427.433 4.772 10 10 IJCE CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870909429 YUQQWNJRFOXFHW-UHFFFAOYSA-N 435.524 4.554 10 10 IJCE CCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421578 FRIPPYFWPPJZOE-UHFFFAOYSA-N 435.474 4.974 10 10 IJCE CCCNCc1ccc(N(C)Cc2nccn2Cc2ccccc2)cc1Br 1915045962 OOIDJWMEJRAWAX-UHFFFAOYSA-N 427.390 4.830 10 10 IJCE CC[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)c1cc(Br)ccc1O 2357222672 OAABZCQOELVTCE-GUDVDZBRSA-N 439.344 4.961 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 13636575 NXYKKFJFNRCUAZ-FXSPECFOSA-N 446.572 4.740 10 10 IJCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)c1C 34896234 RPLWLSVFMDJONG-FQYHFWRWSA-N 426.929 4.923 10 10 IJCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 708156212 GMSFYBHDOWAVGT-NHYWBVRUSA-N 433.774 4.543 10 10 IJCE Brc1cc(CN2CCCN(Cc3cscn3)CC2)ccc1N1CCCCC1 1621177500 DNYHXUZRKWYRTD-UHFFFAOYSA-N 449.462 4.604 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2ccc(Br)cc2O)CC1 1647044407 IZEFOOGUERBIBL-SHTZXODSSA-N 427.383 4.575 10 10 IJCE CCCCCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344709 ABLQXPKGZWSQTL-UHFFFAOYSA-N 442.563 4.661 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]2CC[C@@H]21 2121183937 OLCLSJNHJONJFH-BPUTZDHNSA-N 445.785 4.686 10 10 IJCE Cc1cccc(CNC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1O 2204610572 MPHKOGOKMZSKNW-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE Brc1cc(CNC2CCC2)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2240011583 SZIIAJIURDEKMB-RTWAWAEBSA-N 426.402 4.554 10 10 IJCE Cc1csc(NC(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)n1 2296882471 VZSQMHKFKGQYIF-UHFFFAOYSA-N 437.637 4.913 10 10 IJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 2297314605 ZYVRLGNQPUJUCF-UHFFFAOYSA-N 439.924 4.883 10 10 IJCE CCCCOc1ccc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 2297321829 FLXLUQZBQCTJCE-UHFFFAOYSA-N 435.307 4.642 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](CC)C(=O)O)cc2)SC1=S 2314929749 RDZOTHDEGMBDGE-SFHVURJKSA-N 427.547 4.897 10 10 IJCE COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 9526955 LTOUVZDGAPGVDH-MHZLTWQESA-N 443.591 4.614 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469240 VPRACMOAGAIBKY-ZYLNGJIFSA-N 432.520 4.683 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)cc1 16909571 CWPXCUCGDYWDCM-CPNJWEJPSA-N 427.547 4.898 10 10 IJCE CC(=O)N(C)c1ccc(N=N[C@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 252626621 RCGVWGQVJPIYAA-HXUWFJFHSA-N 432.509 4.668 10 10 IJCE Cc1cncc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C/c3cncc(C)c3)c(C)c2)c1 772164299 JMRBCMBYMAWCAV-VTBWALSUSA-N 426.520 4.730 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1O 1307555357 RUARBKUCZWFHIK-OAHLLOKOSA-N 429.879 4.817 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)cccc3Sc3ccccc3)c2)CC1 1529144275 BOKSTXSSABBMHY-UHFFFAOYSA-N 449.551 4.898 10 10 IJCE COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1OC 1872743180 YWACJRIDWRJQTL-MRXNPFEDSA-N 444.535 4.804 10 10 IJCE C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl 1951856870 BHWTVIWULBIIJK-GOSISDBHSA-N 432.687 4.969 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NCc2cc(Cl)cc(Br)c2O)C1 1962829629 GYQYJVOCHISRBH-SGIREYDYSA-N 445.785 4.543 10 10 IJCE Cc1cccc(O)c1Cn1nc(C(C)(C)C)c(I)c1C(F)(F)F 2078992248 LSMFKOPZGRXCJM-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(N)c2I)cc1C 2079978424 AFFKJCKIXVPMOL-GOSISDBHSA-N 437.325 4.659 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=S 2296882504 XBFVEFZXUYPXRU-SFHVURJKSA-N 427.547 4.638 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 2313682615 HHYODJLDCKPWSG-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 2313682660 IBSWBGFXMJPHAP-UHFFFAOYSA-N 434.521 4.565 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccc(F)cc2)cc1 2313682698 IVYMPPYENNRNFS-UHFFFAOYSA-N 445.494 4.658 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCC)C1=O 2314414943 RTMFAOAXEXITMX-UHFFFAOYSA-N 444.626 4.606 10 10 IJCE Cc1ccccc1COc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2314761083 PELOUCRLRNCGFI-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE CC(C)N(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 2329480901 NGMUDZRDLFWKLP-UHFFFAOYSA-N 440.455 4.825 10 10 IJCE CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 21891943 NTPRSRLWWUBVJT-VWLOTQADSA-N 426.520 4.951 10 10 IJCE O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)SC(=S)N1c1ccccc1 33441515 LIYSUJUXSIMVQO-RGEXLXHISA-N 425.535 4.991 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 40888763 BEOXGGSAJDRWSF-HKWRFOASSA-N 441.574 4.810 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCc2ccccc2)cc1 205961988 SSMMIGAQNAHKOC-NCELDCMTSA-N 441.531 4.561 10 10 IJCE Oc1cccc2c1[C@H](Nc1ccc(I)cc1Br)CC2 311906170 QMHVSPNHYMTVSC-CYBMUJFWSA-N 430.083 4.859 10 10 IJCE CN(C)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526365783 FBIXGYDXTZJWSE-JOCHJYFZSA-N 436.895 4.874 10 10 IJCE CCC[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1866017229 IAULCICQFCASOU-AWEZNQCLSA-N 439.375 4.729 10 10 IJCE CN(C)c1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1952739452 BTXJGGXKUGTIDS-IGKIAQTJSA-N 442.515 4.591 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Br)c1O 2108255336 JQUYPMRECXTAKH-CJTUPEFNSA-N 445.785 4.590 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)CCC1(C)C 2131947246 LPUOZGICWKPQFR-AWEZNQCLSA-N 431.346 4.562 10 10 IJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 2296545332 IEVMLZQHVQQOEF-UHFFFAOYSA-N 435.574 4.695 10 10 IJCE CCC(=O)Oc1ccc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 2296739352 ZSXZGIUXNXLQSS-UHFFFAOYSA-N 443.297 4.579 10 10 IJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4F)o3)SC2=S)cc1O 2296885288 NGNOCVLWAMCEPG-UHFFFAOYSA-N 441.461 4.895 10 10 IJCE CCN1C(=O)C(=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2297298167 QHVJTZTZULAXNM-UHFFFAOYSA-N 445.363 4.592 10 10 IJCE COc1ccc(OCCCOc2ccc(C=C3C(=N)N4C=C(C)SC4=NC3=O)cc2)cc1 2297458162 CRVJQWPLZKUCFX-UHFFFAOYSA-N 449.532 4.710 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932490 MXEVIOLOZJTFOX-CYBMUJFWSA-N 443.546 4.515 10 10 IJCE COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc(OC)c1O 2332147451 FAHFWNIDIBNMIB-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(O)c1Br 2380783736 PENWQPOPUYRSJZ-FPOVZHCZSA-N 429.402 4.950 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1OC 14479349 NFDBSVQXVILCGU-IXFSTUDKSA-N 442.581 4.607 10 10 IJCE COCCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCC(C)CC2)SC1=S 208281428 UKIZMCIHXUPCMO-HMMYKYKNSA-N 441.622 4.709 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1 226852036 AVKQGULGRDREQM-JQYIIUTOSA-N 446.572 4.687 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]43)C[C@@H]2C)cc1 504109542 KROIZQLPVOFDSY-SEVWGJSDSA-N 438.612 4.520 10 10 IJCE biogenic CCN(CC)C(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586662870 UXWLGSFDHUSQGT-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE CC(=C\[C@@H]1Sc2ccc(C)cc2N1CCO)/C=C1/Sc2ccc(C)cc2N1CCO 642773474 WVIDWEFUGHJZIT-UILSQECISA-N 440.634 4.926 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 708076945 NYWLSDQCDSEMMF-CQSZACIVSA-N 433.774 4.687 10 10 IJCE CCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421580 FXKLSONNNQRVDM-UHFFFAOYSA-N 439.519 4.572 10 10 IJCE Cc1ccc(O)c([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1952762441 MCDNPAIENNZUBK-BKMJKUGQSA-N 429.472 4.539 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c1 2079719195 MBJSKQWAOGCLOR-UHFFFAOYSA-N 440.325 4.815 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Br)cc(F)c3O)CCC[C@@H]12 2154573327 IVPRZLLRHOSMKC-UZLBHIALSA-N 443.357 4.706 10 10 IJCE CC[C@@H](NC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2157528773 MLCGAEZOSOOQKA-OXQOHEQNSA-N 445.373 4.935 10 10 IJCE NCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163326703 NRIWGTNEQCXIMZ-QHCPKHFHSA-N 428.418 4.790 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC(CN=[N+]=[N-])CC2)c1 2180962644 LBPOXLQMTALUKK-UHFFFAOYSA-N 438.326 4.959 10 10 IJCE CN[C@H](c1ccccc1O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401632 ZUKQTKFDZBILQN-PKOBYXMFSA-N 435.362 4.551 10 10 IJCE Cc1ccc(OCCOc2ccc(Cl)cc2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c1 2297361581 IRLRMOGSOFLRHS-UHFFFAOYSA-N 448.906 4.568 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2313609193 FLAINHVIPNYJEI-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)c1 2314837257 QEMOCIDZBLCVDF-GFCCVEGCSA-N 432.954 4.582 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2cccc(Br)c2)C1=O 2321614885 QHLWCSBJCMWALH-UHFFFAOYSA-N 430.352 4.811 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1O 2321646861 OJKCIDLDVHURJC-UHFFFAOYSA-N 436.898 4.758 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc([N+](=O)[O-])cc2)cc1 2332148239 MERGOLGENVDNJK-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 14473694 BRYDGEOORGKRBH-LZCXECNNSA-N 446.572 4.740 10 10 IJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)o1 33316160 KUQNGQJZAKGXRF-UNOMPAQXSA-N 431.404 4.666 10 10 IJCE COc1c(Cl)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1Cl 33419770 AXHNQEMYMUPZDP-JHGUJBJGSA-N 431.304 4.669 10 10 IJCE Cc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33448620 IRLRMOGSOFLRHS-JWGURIENSA-N 448.906 4.568 10 10 IJCE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)cc1Cl 33458140 SZQDEDQUDRUKPU-UUASQNMZSA-N 441.361 4.687 10 10 IJCE CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@H]2c2ccc(N(C)C)cc2Cl)cc1 248109976 JXGRTJXPKRJZTO-NFBKMPQASA-N 427.976 4.956 10 10 IJCE CC[C@H](NCC12CC(CN1C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 701911974 XFWZLXRIFMDJMH-FOCKTWCOSA-N 425.367 4.595 10 10 IJCE O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1)c1ccccc1 792174328 RYUJFUCWZKHSDI-OAHLLOKOSA-N 428.895 4.540 10 10 IJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C(C)C)CC1 1705622848 XFRVBPDUIBFLSH-UHFFFAOYSA-N 445.611 4.875 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OCC 1858596747 ZNROLFKPMNZMDQ-NXVZYTBHSA-N 437.583 4.575 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 1860087767 SKJAIQAUPZKASG-YRNVUSSQSA-N 432.426 4.961 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)ccc2O)CC1(C)C 2115821281 UWCQXUZBPYQCEU-AWEZNQCLSA-N 427.383 4.670 10 10 IJCE CCCNCc1ccc(N(CCOCCOC)Cc2ccccc2)c(Br)c1 2152215747 XCDMRJYHCCWANG-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE CNCc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163318766 QEEZCIVOYIFYJJ-QHCPKHFHSA-N 428.418 4.661 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)C[C@H]2CCCC[C@@H]21 2240999434 BFEYKEJIIOEFHJ-VKJFTORMSA-N 439.394 4.813 10 10 IJCE CCCCOc1ccc(C=C2SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 2293601532 LCCPLOHZKRHPHM-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 2296727511 JOVJOWDWMWLXID-IBGZPJMESA-N 439.558 4.594 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2318684314 YYUBDCNQHUINHP-HNNXBMFYSA-N 437.464 4.603 10 10 IJCE COc1ccc2[nH]cc(C=C3SC(=S)N(C4CC(C)(C)NC(C)(C)C4)C3=O)c2c1 2323789861 BIMCNIMQZCAXHJ-UHFFFAOYSA-N 429.611 4.687 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332140972 ATBGKFCUVYLXFO-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 33409692 AVJDITGYBJDQQM-DEDYPNTBSA-N 430.420 4.509 10 10 IJCE CNCc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 714995333 ZVJICNLFSDVOGH-REWPJTCUSA-N 428.418 4.659 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2cc(Br)cc(F)c2O)CC1 1657140186 OTAZBQHGSVOSHJ-AWEZNQCLSA-N 445.373 4.811 10 10 IJCE CCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169374 LVWBOYFVXQZXST-UHFFFAOYSA-N 441.575 4.991 10 10 IJCE Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 1874180640 INKSTAPHRHIOAF-UHFFFAOYSA-N 425.444 4.682 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(Br)c1 2151097808 IPBYIIBGOFPYLH-HXOBKFHXSA-N 429.402 4.993 10 10 IJCE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(C=CC(=O)O)c(Br)c1 2159755343 OTAOQDHZUHEWBX-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1c(C)ccc2nsnc12 2297316910 NBASFPFJZRBMCQ-UHFFFAOYSA-N 442.342 4.789 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1cccc(C)c1C 2297347375 MEISJOBDCRAUPU-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1cccc(OCCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1 2297347389 WUHBHSKCZHJIJY-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c1C 2313560509 WCTMDQBLELGWRV-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1)C(=O)O 2314929253 JWSOZYADCZTEBM-SFHVURJKSA-N 441.530 4.537 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1OCC 2321733926 FOCGGIZASAHXGD-UHFFFAOYSA-N 436.536 4.860 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(Br)cc3)C2=O)cc1 2332147733 UNBQHZZPGKEFMH-UHFFFAOYSA-N 425.204 4.806 10 10 IJCE Cc1ccc(CN[C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352947296 RCMVYLOLUXLAJD-HOCLYGCPSA-N 427.383 4.731 10 10 IJCE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C)c(Br)c1O 2381136460 GNTLJQNGJCNASM-IRXDYDNUSA-N 441.410 4.978 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)cc1O 20071137 TXMIUOZIVKWGQE-CLOONOSVSA-N 432.476 4.666 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 33540736 RKTKXGDDEHSCQW-AQTBWJFISA-N 447.354 4.630 10 10 IJCE Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1Cl 38642778 BUYSUTJETYJLIR-GCJKJVERSA-N 430.976 4.690 10 10 IJCE CC(C)CN1CCCc2cc(/N=N\c3nncs3)c(NS(=O)(=O)C(F)(F)F)cc21 50888637 VMWQLPCONMDUPS-LNVKXUELSA-N 448.496 4.624 10 10 IJCE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)SC2)cc1 72413084 SAXUQYSDJAGETK-GOSISDBHSA-N 443.370 4.932 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc4occc4c(Nc4ccc(F)cc4)n3)CC2)cc1 96323677 JOFMBZRKODMOLL-UHFFFAOYSA-N 446.482 4.682 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C)SC1=S 206843820 IHSFLYGEFVZUHM-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)cc1 248145139 SDRHOKQGSPLHHE-UHFFFAOYSA-N 425.532 4.661 10 10 IJCE CCc1ccc(S(=O)(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 586239348 DIDFPQUBKJFAJE-UHFFFAOYSA-N 433.529 4.628 10 10 IJCE CCN(CC)C(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586717319 JVJUKKUVVJQPBX-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE CC(C)(C)c1cc(O)c(O)c(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727431680 UPFIYABRTZRDCK-NRFANRHFSA-N 428.960 4.997 10 10 IJCE COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c2ncccc12 783481795 FAMDJYPFBDRPBR-KRWDZBQOSA-N 440.503 4.559 10 10 IJCE Cc1cccc(C)c1OCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930796 BCTAXTCWBWQKJT-RUZDIDTESA-N 437.628 4.872 10 10 IJCE CC(C)c1ccc(O[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865934534 IDTKRTGYCLNXNA-LVXARBLLSA-N 437.628 4.987 10 10 IJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=S 1871287815 VXDDQEKCJGLIKS-YBFXNURJSA-N 444.553 4.700 10 10 IJCE O=C(N[C@@]1(c2cccc(Cl)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952766934 YPOJLMSCMBWLAL-CJFMBICVSA-N 449.890 4.884 10 10 IJCE Cc1ccc([C@H](n2nc(C3CCC3)c(N)c2I)C(C)(C)C)c(O)c1 2079012916 BLCLKXZNQLGEEY-KRWDZBQOSA-N 439.341 4.987 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C(C)(C)C)c2I)c1 2079820757 NKXPAKGGMOOZDU-UHFFFAOYSA-N 442.341 4.845 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2cc(C)c(C)cc2O)c1Br 2080032165 BBGPCLDKJQLQNH-JTQLQIEISA-N 435.240 4.773 10 10 IJCE CCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(Br)ccc21 2296714249 NUQCTHKIJFPVBE-UHFFFAOYSA-N 439.400 4.577 10 10 IJCE CCCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 2314764469 CYBNGPJGGYZRFI-UHFFFAOYSA-N 426.563 4.802 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 2321717801 FQOLQLUYAYNIQV-UHFFFAOYSA-N 442.518 4.958 10 10 IJCE CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)c1 2321718178 RYSOGZCFYYRIDT-UHFFFAOYSA-N 428.491 4.566 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472997 YMEMSAGTWABUIU-GCKMJXCFSA-N 447.944 4.763 10 10 IJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 14550780 BXTIYAIIMHBUJP-MZKRTTBSSA-N 439.537 4.596 10 10 IJCE CC(C)COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 40888767 MEINQXDGDSCBDU-NDENLUEZSA-N 441.574 4.666 10 10 IJCE CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 40940208 VWVXHIXSDPYGNB-SFQUDFHCSA-N 432.954 4.675 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226796316 ZGKBBQZWMCLTPL-DBXWQHBBSA-N 447.398 4.964 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C\C(=O)O)cc1Br 382627388 UZFLLZOQRPISJU-CCCPALQASA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(Br)c1O)C1CCCCC1 387897746 ASYDRFAKCFPSAW-QGZVFWFLSA-N 427.383 4.718 10 10 IJCE C[C@@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 708173914 ZLZJPSBUVLWXSP-RISCZKNCSA-N 433.774 4.686 10 10 IJCE Cn1cccc1[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 746761823 OHPNBKLBYBUJIC-NRFANRHFSA-N 432.515 4.532 10 10 IJCE c1ccc(COc2ccc(/N=N/N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 1860485415 HYDLGMIDPJGXIP-CYYJNZCTSA-N 430.508 4.811 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2099322829 SIGXBRZBAHTCIE-HOTGVXAUSA-N 435.793 4.808 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1ccccc1Br 2163036958 AJEKIQRDQPUHJG-IBGZPJMESA-N 434.378 4.610 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(Br)cc2O)CC12CCC2 2176869713 XNFIDZCCNYRFIS-HNNXBMFYSA-N 439.394 4.814 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c1C 2313549105 NMDGNKQREDVHOI-UHFFFAOYSA-N 426.472 4.549 10 10 IJCE C[C@@H]1CN(C2=NC(=O)C(=CC3=Cc4ccccc4O[C@@H]3c3ccccc3)S2)C[C@@H](C)O1 2314432952 IHLSEVPMTLNXFC-SEPYTNNBSA-N 432.545 4.826 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)ccc1OC(C)C 2332125512 KRTZMSORXDQYEV-UHFFFAOYSA-N 436.405 4.966 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1Br 2352932692 QCTDEMDTQFARGJ-HOCLYGCPSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(O)c1Br 2380783737 PENWQPOPUYRSJZ-PZJWPPBQSA-N 429.402 4.950 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCN(CC)CC)cc2[C@@H]2C=CC[C@H]21 14545838 UKTCLNORPPXGHZ-IPVFLDMMSA-N 433.596 4.983 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15039748 PLIXSAOAXPXSAS-AQTBWJFISA-N 446.981 4.969 10 10 IJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@@H]3C=CC[C@H]32)cc1 20696993 SOSOCRGBIRWYLQ-LGVFNWMJSA-N 425.598 4.610 10 10 IJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@H](C)C(C)(C)C)c4ccccc4n3)CC2)cc1 23335533 SAHHGANZDJIWAX-LJQANCHMSA-N 446.595 4.734 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)c(C)c1 59859934 QLTJYNBJWYCOHY-QGOAFFKASA-N 448.479 4.709 10 10 IJCE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C/Nc1cccc2nsnc12 101128306 CIIXHKFXLWYRTQ-UKTHLTGXSA-N 442.342 4.789 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 210743521 CREHEPVVYQZUON-XMHGGMMESA-N 444.553 4.932 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/C(=O)O)cc2Br)C1 323430106 WEVKBYUUPNDENY-VMSUTVGLSA-N 429.358 4.505 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1F 326490034 MWIJIZJWPHKDFM-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 702101664 ZCIBODOBUBWURL-LYHRCORUSA-N 428.418 4.688 10 10 IJCE CCCN(Cc1ccccc1O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 745881878 SGRDZXNWDJGHQF-FQEVSTJZSA-N 427.545 4.580 10 10 IJCE Cc1c(Br)ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1F 790946986 ORCAROXIFFRLDR-UHFFFAOYSA-N 425.261 4.859 10 10 IJCE CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)c3ccc(Br)cc32)c1O 864033522 ZCYCJFHDMCETNU-UHFFFAOYSA-N 434.305 4.565 10 10 IJCE CCOc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 1082990555 ABKNEJZDHVGMRO-ATVHPVEESA-N 426.831 4.599 10 10 IJCE COc1cccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 1084543503 CTLBHSBRAMZREM-SXGWCWSVSA-N 435.368 4.729 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)[C@@H]1C[C@@H]1C 1636229423 GLJOJYFBIZXYRB-IVCQMTBJSA-N 429.520 4.920 10 10 IJCE CC(C)c1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860708196 HZMVDQWBMQMMKN-UHFFFAOYSA-N 426.516 4.704 10 10 IJCE CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)cc2C1=O 1865877877 SIVCBAWSUXCIRN-UHFFFAOYSA-N 429.476 4.565 10 10 IJCE CCOC(=O)c1c(NC(=O)CCC(=O)Nc2ccc(F)cc2)sc2c1CC[C@@H](C)C2 1865900452 NYQJSUOBWRFBDN-CYBMUJFWSA-N 432.517 4.546 10 10 IJCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C(C)C)c2I)c1 2079774131 XRNHRFLSBNEUSF-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC1(c2nn(Cc3ccc(Cl)cc3O)c(I)c2C2CC2)CC1 2079800082 PFZABCOWBZEIQE-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255615 PVMOSVNNPYFAEG-AGHHOFFYSA-N 429.402 4.993 10 10 IJCE CC1(C)CC[C@@H](NCc2cc(Br)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155356740 HBRNDCPKKLRLJV-NVXWUHKLSA-N 441.410 4.964 10 10 IJCE CC1(C)CC[C@@H](NCc2c(O)cccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2155359392 ZHCQYOVVJCEISG-WMLDXEAASA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)ccc1Br 2180960226 AHICCMLVFBKTMJ-LBPRGKRZSA-N 438.326 4.959 10 10 IJCE CCOC(=O)Cc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1 9228886 QZSIDTJKQSUWML-UHFFFAOYSA-N 435.524 4.530 10 10 IJCE CCCCN1C(=O)/C(=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c2ccccc21 15016154 ODEYKKYPFUEVLZ-HNENSFHCSA-N 425.941 4.964 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1C 32964299 GOOQHCDSIJTOJR-VAXYQBTPSA-N 443.507 4.901 10 10 IJCE CSc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 33417662 RUGSJVZQCVYYJK-GDNBJRDFSA-N 433.352 4.843 10 10 IJCE O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 35624445 UAABNFJMJNTVBL-BMANGOCTSA-N 448.363 4.866 10 10 IJCE CC(C)CSc1nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2s1 96363681 URICROOKGYCUGB-UHFFFAOYSA-N 436.609 4.850 10 10 IJCE N=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N=C2SC=CN12 102470690 WWSJMHSAONRTSA-ODJOWLHGSA-N 431.908 4.970 10 10 IJCE CC(C)N1C(=O)/C(=C\Nc2cccc(Cl)c2Cl)C(=O)N(CCc2ccccc2)C1=O 103840394 YTYRXWRBDCZRFY-SSZFMOIBSA-N 446.334 4.731 10 10 IJCE Cc1c(NC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cccc1C(=O)N1CCOCC1 108874041 ZLSSLLWVDFYCDK-OUKQBFOZSA-N 443.547 4.527 10 10 IJCE CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C2CC2)cc1 745850053 WENVRZBOJMTISD-WMZHIEFXSA-N 426.630 4.571 10 10 IJCE CCN(C(=O)/C=C\c1cncc(C)c1)c1cccc(NC(=O)/C=C\c2cncc(C)c2)c1 772063484 IHFUMXTYSFZEBA-WGEIWTTOSA-N 426.520 4.812 10 10 IJCE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1465395434 YWNHSTHSOLUDSE-SSZFMOIBSA-N 433.379 4.922 10 10 IJCE CCn1c(O)nc2cc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)ccc21 1634027010 LXWCHTONTLKUIC-HNNXBMFYSA-N 426.948 4.582 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 1865669149 DTHBRKHKCOLCLU-JJIBRWJFSA-N 428.488 4.937 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](C)[C@H](C)C(=O)NC2CCCC2)sc(C)c1-c1ccccc1 1866230644 OIZKNWLCAOJFQI-LSDHHAIUSA-N 442.581 4.780 10 10 IJCE CCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164127 NHZJLVUYTWMWGE-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE CN(Cc1cccc(CNCc2cccc(Br)c2O)c1)C(=O)OC(C)(C)C 1913027234 YOWITZXPIMFBPV-UHFFFAOYSA-N 435.362 4.811 10 10 IJCE CC1(c2nn(Cc3c(O)cccc3Cl)c(I)c2C(F)F)CC1 2079770771 ZJHWBFBCYDUNNE-UHFFFAOYSA-N 438.643 4.884 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(N)c2I)cc1C 2080043057 OYVCEQYLCIEEFC-MRXNPFEDSA-N 441.357 4.935 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C(=O)O)c2Br)C2(C)CC2)cc1C 2080054646 SWESNTOYDATSCQ-CQSZACIVSA-N 429.261 4.993 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1Br 2153343478 PAOJNPLLNPZRPA-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 2296755653 XMJBBPPNNMAAPA-UHFFFAOYSA-N 446.981 4.974 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 2313560363 QWMUDQQFZYSKQV-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 54620641 WMXCXWGPNOFTIQ-HSZRJFAPSA-N 443.503 4.730 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1O 224116772 JRYSSUIVCHCDTC-AWNIVKPZSA-N 435.263 4.602 10 10 IJCE CCc1cccc(CNc2ccc(I)c(Br)c2)c1O 691472375 GAOCEUINLZTXCI-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 2053512810 AJGWGQLFNQMHHF-CQSZACIVSA-N 446.506 4.618 10 10 IJCE COc1ccc(Cn2nc(C3CCC3)c(C3(C)CC3)c2I)c(O)c1 2079745322 WHBHQKPHIHSOSM-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](CC)c2ccc(OC)cc2O)c1Br 2080026551 XXUKFNQXXVGBHR-HNNXBMFYSA-N 437.334 4.803 10 10 IJCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1 2080053347 IDOHULMSWLUYAX-MRXNPFEDSA-N 437.334 4.745 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 2294196305 SKSLANBCEQHXQR-UHFFFAOYSA-N 427.957 4.705 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(Br)c1 2313510655 AAWJMNQEQYAEEC-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139562 UPTNSKGUGZMHAP-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(CC)CC)cc3[C@@H]3C=CC[C@H]32)cc1 14480628 LZBGWCPKNWUDGE-LGVFNWMJSA-N 426.582 4.942 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nc2ccc(Cl)cc2s1 39874984 UGXIYOUUSWBZDQ-NVNXTCNLSA-N 445.978 4.790 10 10 IJCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1132264527 VAGNFWIOZOQZCG-SANMLTNESA-N 429.564 4.555 10 10 IJCE COc1ccc(C[C@@H](C)N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 1322210878 NHLYVXMJGSGWDV-MJGOQNOKSA-N 447.526 4.538 10 10 IJCE COc1ccc(N(C)CCN(C)Cc2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 1654115092 ZYXQWESEKGSLIJ-UHFFFAOYSA-N 434.565 4.641 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])c2)c1 1859075647 AXKMWXGEVLMPPO-BUHFOSPRSA-N 430.464 4.565 10 10 IJCE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4ccc(C(C)(C)C)cc4)SC3=S)ccc21 1860087752 RSGCDFCIWVYFOA-YBFXNURJSA-N 438.574 4.745 10 10 IJCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1999527739 RHQNMIVBDSZDOA-PKTZIBPZSA-N 427.589 4.513 10 10 IJCE CCc1cccc2c(C=C3C(=O)N(C)c4ccccc43)cn(CC(=O)N3CCCCC3)c12 2297318888 STNWQBPKQKMOGN-UHFFFAOYSA-N 427.548 4.733 10 10 IJCE COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc(OC)c1OC 2332114933 GHKUUAHGAPAHGJ-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)c1Br 2352673857 YTQQYUVNAXMILU-BBRMVZONSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CNC2(CNC(=O)OC(C)(C)C)CCCCC2)c(O)c1Br 2352685767 GRGGVWNYTZUNNO-UHFFFAOYSA-N 427.383 4.780 10 10 IJCE Cc1ccc(CNC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381128066 OMSFZXZASUJVMQ-UHFFFAOYSA-N 439.394 4.732 10 10 IJCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCCC2)cc1 2204045 RFSKSWFLZKBTAR-XLNRJJMWSA-N 425.960 4.580 10 10 IJCE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4cccc(Cl)c4)ccc3n2)CC1 20108631 MJIPCUCCHJCHRN-JXMROGBWSA-N 434.971 4.990 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl 103919873 DZZTYLBSNTYVRN-UDWIEESQSA-N 448.306 4.654 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4oc(-c5ccc(C)cc5)nc4c3)CC2)cc1 1858106614 FHUDONCYVVTNTC-UHFFFAOYSA-N 427.504 4.774 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873164606 JLTMSICMMOVNTE-UHFFFAOYSA-N 445.538 4.903 10 10 IJCE CC1(c2nn(Cc3cc(Cl)ccc3O)c(I)c2C2(C)CC2)CC1 2079752115 CUENGTFDFPLYJX-UHFFFAOYSA-N 442.728 4.998 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2296661411 WADWZPRADAYCDE-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1OC 2313610329 VROUMATUPUAHAI-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 2313682804 LADIRIYFOVLIQW-UHFFFAOYSA-N 447.485 4.831 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCc3ccc(F)cc3)C2=O)cc1 2313683025 PUCHZNZGZRAQSR-UHFFFAOYSA-N 429.495 4.692 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 2321706177 AXAWATZDEFSBEF-UHFFFAOYSA-N 426.563 4.632 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(CCc3ccc(F)cc3)C1=O)cn2C 2323864917 WDNTVZNOEJSZQO-UHFFFAOYSA-N 426.538 4.770 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879837 KNLOIUQVMBUDIR-FQEVSTJZSA-N 442.606 4.598 10 10 IJCE COc1cccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 37243038 COPJNOMWULXACR-CYXNTTPDSA-N 449.506 4.718 10 10 IJCE biogenic CC(C)(C)OC(=O)N1CC[C@]2(NCc3cc(Cl)cc(Br)c3O)CCC[C@@H]12 708055577 FXGHKCNQDSZKHW-DNVCBOLYSA-N 445.785 4.830 10 10 IJCE CC(C)(C)OC(=O)NC[C@@](C)(NCc1cc(Cl)cc(Br)c1O)C1CC1 708073624 TVWBENMDDHDRTR-GOSISDBHSA-N 433.774 4.591 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708077602 SSMPVATXCCZZSR-BLLLJJGKSA-N 447.801 4.981 10 10 IJCE COc1ccc(C)cc1C1(CN[C@H](C)c2ccc(Br)cc2O)CCOCC1 756456510 YEQDECNODMVCKR-MRXNPFEDSA-N 434.374 4.871 10 10 IJCE Brc1cc(CNCCc2cnn(-c3ccccc3)c2)ccc1N1CCCCC1 1177195471 RPJOEQKXRNDWSH-UHFFFAOYSA-N 439.401 4.957 10 10 IJCE COC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccc(F)cc1 1346622023 AITGJNILJULUQF-HSZRJFAPSA-N 425.504 4.584 10 10 IJCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934049 XACNKJSXZNUAMJ-ZFOVBUMHSA-N 425.504 4.796 10 10 IJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1ccccc1 1870895958 BMNZNWSWOIEALZ-UHFFFAOYSA-N 441.531 4.775 10 10 IJCE O=C1C(=Cc2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C1CCCCC1 2314648122 PGYHKVSZUBFDEI-UHFFFAOYSA-N 439.606 4.605 10 10 IJCE Cc1cccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1 2331595191 YAHADGAUWGGZBP-UHFFFAOYSA-N 440.590 4.870 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)ccc1OC(=O)c1ccccc1 2332133917 PMPLVHAGHNLQMN-UHFFFAOYSA-N 444.462 4.855 10 10 IJCE Cc1ccc(CNc2ccc(I)cc2F)c(O)c1Br 2352683002 DFUPUGSUBUEMOQ-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3070912 SGOUWPMKGXHTMI-HSZRJFAPSA-N 443.415 4.881 10 10 IJCE CCn1c(C2CCN(C(=O)/C=C/c3cc(C)n(-c4ccccc4)c3C)CC2)n[nH]c1=S 97555317 KFRDYJKHVZDJSL-ZHACJKMWSA-N 435.597 4.788 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1cc(Cl)cc(Br)c1O 708168394 BOGKLOUSUBOGFV-OAHLLOKOSA-N 445.785 4.687 10 10 IJCE CCCC(=O)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)C1 1860647437 ZWPRMUWAQZUUTK-SFHVURJKSA-N 442.581 4.796 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(F)c1O 1951659022 VOARZJWOEYBULJ-INIZCTEOSA-N 440.265 4.516 10 10 IJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(Cl)cc1O 1951737363 ULUVYROEIYXOIC-XMMPIXPASA-N 437.879 4.884 10 10 IJCE CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1)c1cc(Br)ccc1O 2137702392 QOPZLVHCPIYWQQ-IAGOWNOFSA-N 427.383 4.889 10 10 IJCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296732931 BWTAMKFYHAMGSE-UHFFFAOYSA-N 449.510 4.918 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2296770729 LGMJVRBRPUZKOS-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)C(=O)O 2314932008 SMDPWYBIIKBSNE-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccco1 2323702233 ADPJDLBCZNQPMD-UHFFFAOYSA-N 430.732 4.803 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 2323865333 OCAPPCVOFYTYKR-LJQANCHMSA-N 426.563 4.560 10 10 IJCE Cc1ccc(CNC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381128863 AOPKLLJIIBSODN-DJIMGWMZSA-N 439.394 4.588 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 1101773 LXJMTQWPXZPPAO-ZZAWEDPDSA-N 448.563 4.563 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15047410 MRFPLRBFMMFSAR-CYUIRQCWSA-N 446.981 4.967 10 10 IJCE C[C@H]1CCN(c2ccc(CNC3CC3)c(Br)c2)CCN1Cc1ccccc1 382772530 FBFMBCJAKHQJJS-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CNCc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 714995331 ZVJICNLFSDVOGH-OFNKIYASSA-N 428.418 4.659 10 10 IJCE O=C(NCc1cccc(COc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 918131326 GWYCQIIZLBXIFH-RUZDIDTESA-N 446.547 4.862 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 1673979722 DDRYSEAKOPIJAA-UHFFFAOYSA-N 430.346 4.914 10 10 IJCE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)c(F)c1 1705868713 YFKDXFYCMNTXQG-UHFFFAOYSA-N 427.593 4.984 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(O)ccc(C)c3c2=O)sc(C)c1-c1ccccc1 1866467491 ILWDWRKROBEOOS-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951601652 CXJKVGGBGWFIQU-OAQYLSRUSA-N 447.487 4.933 10 10 IJCE CC[C@H](N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(Br)ccc1O 2149391943 FESANIPBKCGJLH-XFKAJCMBSA-N 439.394 4.841 10 10 IJCE CCN(CCCOCc1ccccc1)c1ccc(CNCCOC)cc1Br 2153186042 OCPHLXUDLUARSK-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)c1 2313466071 COPDZYFDHOOLHT-UHFFFAOYSA-N 434.970 4.936 10 10 IJCE COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N(Cc3ccc(F)cc3)C1=O)=C2 2314450594 GQKIUEZBZXHMSH-ZDUSSCGKSA-N 427.522 4.943 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OC 2326973147 NPCQAOXSXHVWET-UHFFFAOYSA-N 443.546 4.584 10 10 IJCE CC[C@@H](NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355429639 BETZHWFSXCWYFV-NZPGVSJUSA-N 439.394 4.983 10 10 IJCE CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462812 SNFBEKCUXYGJKM-WRALFONMSA-N 438.593 4.657 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccccc1 15039094 DSDOWEXAWVPBJL-ATVHPVEESA-N 432.954 4.666 10 10 IJCE CCCOC(=O)OCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 138774964 DUMXRPPRIJFEHG-UHFFFAOYSA-N 441.549 4.962 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)c1 526203428 LPWXJKBNIAUDRA-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(OC(F)(F)F)cc1 1860087613 JVIDAMVJVNTCHP-OVCLIPMQSA-N 425.409 4.720 10 10 IJCE O=C(CCNCc1cccc2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860712307 QFJMZLKGUMDPJU-UHFFFAOYSA-N 434.495 4.734 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1OC 1865670966 CDPHENBIZZLYRK-LICLKQGHSA-N 429.314 4.658 10 10 IJCE CCc1nc2ccc(F)cc2c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866275046 LSZIIMADRKIRFU-DEOSSOPVSA-N 445.542 4.564 10 10 IJCE CCOC(=O)Cc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872742803 OLHZWGVJTOAOIO-UHFFFAOYSA-N 442.519 4.654 10 10 IJCE COc1cc2c(cc1OC)CN(Cc1ccc(C(=O)Nc3cccc(N(C)C)c3)cc1)CC2 1872884151 NLESBPYVZMECPB-UHFFFAOYSA-N 445.563 4.580 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873167092 RMYQPXYYHKAONK-FQEVSTJZSA-N 427.548 4.933 10 10 IJCE CCc1c(C(C)C)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079823534 DWPGHQUEFWNCLA-UHFFFAOYSA-N 438.231 4.946 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163265583 ZFHNCTGBSOTBNZ-FDDCHVKYSA-N 429.402 4.995 10 10 IJCE CC[C@@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 2164300256 BMTOXBAAGUPCQL-WMLDXEAASA-N 439.394 4.985 10 10 IJCE Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O 2294335087 XGGXKKBPFRZYPT-XMMPIXPASA-N 434.586 4.689 10 10 IJCE CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(OC)cc3)c2)SC1=S 2297347276 CTMIJTRXRUZBQT-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1)C(=O)O 2314929228 JKHMKWOCGAPMIC-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)c1 2321683352 HXESQXOADCVXMJ-UHFFFAOYSA-N 449.937 4.550 10 10 IJCE Cc1cccc(-n2c(C)cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C)c1 24941098 XYPDXOHWBGYTLC-UHFFFAOYSA-N 442.485 4.779 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccc1I 101141746 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O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cccc1F 1952824939 XAZHXXVYGRUOBY-CYFREDJKSA-N 447.462 4.928 10 10 IJCE O=C(NC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F)OCc1ccccc1 2029883010 YHRMNSILLXWCHO-OAHLLOKOSA-N 437.245 4.646 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1cccc(C)c1C 2297499196 DWJQXBNJXBYWOS-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2313560373 RGFPBLIHOYFIOG-UHFFFAOYSA-N 433.895 4.756 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3cccc(OC)c3)C2=O)cc1 2313683024 PUAYLWAMNDQEPY-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2332133921 PTSFTSCWSYKICL-UHFFFAOYSA-N 441.487 4.896 10 10 IJCE Cc1ccc(CN[C@]23CCC[C@H](CN(C(=O)OC(C)(C)C)C2)C3)c(O)c1Br 2380803764 JBZKSXNTVATSJL-BTYIYWSLSA-N 439.394 4.732 10 10 IJCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1Br 2381128958 BVXWBUUSGBZCCB-OAHLLOKOSA-N 439.394 4.732 10 10 IJCE 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COc1ccc(N2CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)CC2)cc1 1535589538 MZMNWUDQEXVOJM-UHFFFAOYSA-N 430.548 4.556 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)c1O 1645012395 ASYXFEVMXFLOSE-UHFFFAOYSA-N 428.504 4.800 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC 1860085868 PNZRAOGYPFMPOP-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc(OC)c1OC 1865667529 AYFTYHJARAPXLX-VIZOYTHASA-N 435.307 4.821 10 10 IJCE CCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164153 OREPKFZSGPVLSN-UHFFFAOYSA-N 431.536 4.747 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NCc1ccc(Br)cc1O 1924845373 PFQZXHCNRYNELA-YJBOKZPZSA-N 439.394 4.718 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cc(Br)cc(F)c2O)CC1 2133494123 HERPYIHJEMHUTL-GJZGRUSLSA-N 431.346 4.609 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 2293039550 LYFJKUHGLMYPDL-UHFFFAOYSA-N 437.583 4.720 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1C(=O)OC 2313681520 HBJLWDJRGWJJSD-UHFFFAOYSA-N 434.521 4.972 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2cccs2)cc1 2313682947 OIIFRVFJPZOEKZ-UHFFFAOYSA-N 435.524 4.753 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=Cc3cc(Br)ccc3O)C2=O)cc1 2332124739 KSPNAXRHQXOKDX-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Br 2352689645 ZHJWHXHAKSATFM-CJNGLKHVSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(O)c1Br 2381133849 UFCUFAUFNJVPDL-TZIWHRDSSA-N 429.402 4.807 10 10 IJCE CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(OC)c3)ccc21 3057218 QFOOSKXZTDNXPQ-UHFFFAOYSA-N 427.614 4.703 10 10 IJCE Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c(C)n1-c1ccccc1F 108673729 CDGXAOLKRGTORL-UHFFFAOYSA-N 442.494 4.811 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)ccc21 487907770 CSDNJIJGSWKUCG-QFIPXVFZSA-N 425.617 4.633 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1ccc(Br)c(I)c1 701374974 AMSJPXRIDKLVCW-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE C[C@H](O)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705901357 QLJWYUANGWWLEJ-JJEOQYAHSA-N 429.402 4.851 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3c(C)cc(Br)cc3C)CC2)cc1 726613610 KYGIGZXHKCOSDK-UHFFFAOYSA-N 446.389 4.543 10 10 IJCE CCOC(=O)C(C)(C)C(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814771649 BJFSXXFWVGNXDP-DHDCSXOGSA-N 433.576 4.763 10 10 IJCE Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 1625897362 WNFJKNYAJFJTQK-UHFFFAOYSA-N 435.915 4.728 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)[C@H]1C(C)(C)C 1877308826 ZDPBKZOGUQPNHD-WBVHZDCISA-N 427.383 4.668 10 10 IJCE COc1cccc(O)c1[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951667420 PYYZFBSLXOVKBR-OAQYLSRUSA-N 447.487 4.845 10 10 IJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 2053512954 DSEMKYVYSDKRMA-CQSZACIVSA-N 446.506 4.618 10 10 IJCE COC(=O)c1ccc(-n2c(C)cc(C=C3NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 2293456930 GLDOISDCAHZLOA-UHFFFAOYSA-N 449.894 4.631 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1)C(=O)O 2314929058 GQBPLOJWGRRIOM-GOSISDBHSA-N 427.547 4.951 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1)C(=O)O 2314929157 IDECNDSKPXJDOQ-GOSISDBHSA-N 427.547 4.951 10 10 IJCE Cc1cc(C(=O)CN2CCN(CC=Cc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 2320713083 ULAMMUNFDCMFLK-UHFFFAOYSA-N 431.555 4.747 10 10 IJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C)c1O 2332124853 XKAFYGOCLPBYLE-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE Cc1ccc(CN(C)C(=O)c2occc2NC(=O)OC(C)(C)C)c(O)c1Br 2381129363 JHWOQJPVTPPJOG-UHFFFAOYSA-N 439.306 4.675 10 10 IJCE CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469275 GXYALKQQGPNYBZ-OHGMFUDRSA-N 434.536 4.975 10 10 IJCE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@H]2C=CC[C@@H]21 14545454 UTPKHGMCQAUDBV-BSRJHKFKSA-N 426.582 4.989 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21)N1CCOCC1 20706031 WPEGNHQGXCLIEN-JIGPKXGUSA-N 439.899 4.547 10 10 IJCE Cc1cccc2nc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)cc(=O)n12 109622245 RMFPQQREJAQDBK-UHFFFAOYSA-N 430.455 4.721 10 10 IJCE Cc1cc(C(=O)Cn2c(O)nnc2-c2ccccn2)c(C)n1-c1ccc(C(C)(C)C)cc1 1307341668 JELIXKZDTBCXSI-UHFFFAOYSA-N 429.524 4.634 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1645680215 DGMMDRWRWPDBCO-SJORKVTESA-N 436.980 4.717 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1858134317 CDTFNVQWCGFPPX-HSZRJFAPSA-N 436.502 4.844 10 10 IJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)N(C)C)cc1 1858593916 DJXATIAFTRVGAR-GUBFPNNNSA-N 430.570 4.647 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(OCC)c3O)SC2=S)c1 1860086879 MSQFQQFIKMZUHP-QGOAFFKASA-N 443.546 4.764 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)CC2)cc1 1872882879 UBNNIFBHBWENLW-UHFFFAOYSA-N 429.564 4.887 10 10 IJCE CN(C)c1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)cc1 1927428310 FJWKEDZFQYOECX-ZEQRLZLVSA-N 448.494 4.755 10 10 IJCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 2107377433 ISSMAYKAHQUBJF-WBMJQRKESA-N 447.801 4.933 10 10 IJCE CN(Cc1ccccc1O)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243940025 WSASBSLIKDQBPD-UHFFFAOYSA-N 444.531 4.670 10 10 IJCE CC(C)c1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 2297346793 FPJKHBYBASDOCO-UHFFFAOYSA-N 429.505 4.861 10 10 IJCE Cc1cccc(C2=NN3C(=N)C(=Cc4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)c1 2297357804 XZSCFDZXGBABPK-UHFFFAOYSA-N 431.304 4.675 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314767230 FDTYLPMOFOCANB-FQEVSTJZSA-N 441.574 4.981 10 10 IJCE CC[C@]1(NCc2ccc(C)c(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2352695305 XRNZKCFEUBTJDT-FQEVSTJZSA-N 427.383 4.732 10 10 IJCE CC[C@H](NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355434017 BETZHWFSXCWYFV-QXRTWZOPSA-N 439.394 4.983 10 10 IJCE Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1Br 2380811275 JRVKLZXMIVBADP-KRWDZBQOSA-N 435.362 4.819 10 10 IJCE CN(C)c1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2457267 CXVCKBCCYQRRER-UHFFFAOYSA-N 440.503 4.685 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 14473451 KBZGXJDDVVVMJJ-DRSNIGMVSA-N 439.899 4.547 10 10 IJCE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)c(C)c4)c3)C(=O)N=C2S1 27531177 RGIUBTQBHXKZJS-FTNSYOLJSA-N 448.548 4.790 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 34262318 ZMTUNRGUOPTZAN-HUBONXQRSA-N 434.521 4.564 10 10 IJCE CC[C@@H](C)Oc1c(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cccc1OC 96477395 RGJFBILKNTWCKY-GPLLRDDGSA-N 428.485 4.683 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226740763 OFUVREVPJWMZBX-STSQHVNTSA-N 434.536 4.975 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526447457 HXSWGPIGURZCPZ-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cccc(NC(N)=O)c2)sc(C)c1-c1ccc(F)cc1 586639574 RYKYEJWFAXRSBB-UHFFFAOYSA-N 441.484 4.782 10 10 IJCE CN1CCC[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1c1cccs1 742372534 CPHHPRABDOYBHU-XXBNENTESA-N 428.602 4.819 10 10 IJCE C[C@H]1CN(c2ccc(CN[C@@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2F)C[C@@H](C)O1 756422984 PNVWUVNDOMWTCB-SRGWNRLKSA-N 442.966 4.705 10 10 IJCE Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CCC2=O)cc1C 760564104 VFRUUMYAHFXPIY-NRFANRHFSA-N 432.520 4.574 10 10 IJCE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 778222168 PWURORRRSXWBNP-MRXNPFEDSA-N 446.517 4.932 10 10 IJCE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860083602 SIJGJZBHZMTCHT-CQSZACIVSA-N 440.521 4.589 10 10 IJCE Cc1cc(C)cc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860345098 TUJICCIRVIYXDH-UHFFFAOYSA-N 448.526 4.830 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3cc(Cl)ccc3n2)N2CCCCC2)cc1 1866052602 VKSQLIBCSUECSU-XMMPIXPASA-N 436.987 4.911 10 10 IJCE COc1ccc(O)c([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951858201 FNKVIBCKNUHACQ-SANMLTNESA-N 447.487 4.629 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251800 COSBOMVJDHKPHN-LTMIRXACSA-N 429.402 4.993 10 10 IJCE CNCc1ccc(N(C)C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2151269714 QBSKGDSAKCBYJH-WCRBZPEASA-N 428.418 4.800 10 10 IJCE CCN(CC)c1ccc(C=C2SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 2293320658 IMLUMYBBMMHCFQ-UHFFFAOYSA-N 434.609 4.634 10 10 IJCE CC1=CN2C(=N)C(=Cc3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 2297317100 YDXPNPDOQWNZHB-UHFFFAOYSA-N 442.500 4.585 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 2297499405 BCENUGFPOXXSAQ-UHFFFAOYSA-N 436.493 4.844 10 10 IJCE COc1cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OC 2297617130 ITQJYXHTQDSABZ-UHFFFAOYSA-N 448.256 4.598 10 10 IJCE Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 2313559907 BCJHAJSQKOBXJZ-UHFFFAOYSA-N 434.542 4.879 10 10 IJCE O=C(CCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 2314829230 ZTZPLUAWPBGYKZ-UHFFFAOYSA-N 425.510 4.537 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OCC 2323675436 MMIVTFYQELGXGK-UHFFFAOYSA-N 429.563 4.634 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472922 SRABIDSZDSDXQI-CKJXQJPGSA-N 447.944 4.761 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C\c3ccc(OC(C)C)cc3)cc12 33535761 VEBOURHXXLFZCO-WDZFZDKYSA-N 431.536 4.819 10 10 IJCE COc1ccc(Br)cc1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O 34716266 VODGLGAWVMIUJM-BXODQFHZSA-N 440.322 4.762 10 10 IJCE O=C(O)CCCCCCCCCCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 38180466 FKJVLVXMXAAYOU-VHEBQXMUSA-N 446.594 4.806 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NC2Cc3ccccc3C2)cc1 206229085 SPKOMDDRDDPQGX-KOEQRZSOSA-N 441.506 4.616 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226852969 ZWGDWFRNUNFMOK-JLHGSKIFSA-N 441.915 4.841 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1 250496812 AVKQGULGRDREQM-UMFSSWHCSA-N 446.572 4.687 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNCc1cc(Cl)cc(Br)c1O 708073108 KUDUHBWBKDCPQJ-GOSISDBHSA-N 433.774 4.687 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C(F)(F)F)cnc2O)cc1 1565656107 OSLLJNGSPDMLET-UHFFFAOYSA-N 445.441 4.728 10 10 IJCE C/C(=C/c1ccccc1)CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1658236814 RXYFBTLWHJKLCV-VZWFDDOASA-N 438.527 4.824 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cc(OC)ccc2OC)cc1 1865668061 DGRFDCWWABDNOY-HZHRSRAPSA-N 446.478 4.682 10 10 IJCE COc1ccc([C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1868180193 VBBZVKNLUCRYJT-QHCPKHFHSA-N 443.499 4.858 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]2CCC[C@H]21 1925973166 ZWIIYYXQUXBQHD-VNQPRFMTSA-N 445.785 4.686 10 10 IJCE CC[C@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OCc2ccccc2)C1 2027849287 MNJPXOAZERLQNH-QFIPXVFZSA-N 447.373 4.826 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C(N)=O)c2Br)C(C)(C)C)cc1C 2080035703 GJJQSRLMGFEQAK-AWEZNQCLSA-N 430.293 4.640 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C=O)c1I 2080051932 GKVNQJVQRNMABE-LBPRGKRZSA-N 434.224 4.560 10 10 IJCE Oc1c(F)cc(Br)cc1CN[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1 2173445437 RXTLGRGZUOGFHQ-LJQANCHMSA-N 433.365 4.971 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2294244506 RBTLUAZOUKUVON-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2296659716 UAFAIDWCGKMWBB-UHFFFAOYSA-N 431.231 4.508 10 10 IJCE O=C(CCn1c(=O)oc2ccccc21)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10912691 IGTKLRAAICOKRE-AREMUKBSSA-N 438.483 4.749 10 10 IJCE Cc1cc(Br)ccc1N1C(=O)/C(=C/C=C\c2ccccc2)C(O)=NC1=S 33410540 JRPIQLOVRDAIOH-UDTWMHFTSA-N 427.323 4.985 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 47152220 BCAXOZWICGQGFW-AQTBWJFISA-N 441.534 4.523 10 10 IJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OCC 206854792 NLEFNCFQPHIHBJ-NBVRZTHBSA-N 437.583 4.720 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526380945 CPJXJGJLOKRJAX-XMMPIXPASA-N 448.494 4.966 10 10 IJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1ccc(I)cc1Br 701387329 QZODCRZQWFFIBC-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C(F)(F)F)c(O)n2)cc1 1293125674 PDBDYKRSVOQAEF-UHFFFAOYSA-N 445.441 4.728 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F 1437303266 OCSZRFJKDPOUAQ-YRNVUSSQSA-N 427.220 4.692 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCC 1858591150 ZJYFYVVXOHDFAM-XDHOZWIPSA-N 443.546 4.584 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(OC)c(OC)c3)C1=O)cn2C 1860085453 MCIJZWGAGJKCBZ-AWQFTUOYSA-N 440.546 4.610 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(N3CCCC3)cc1)c1ccccn21 1873949513 LXJIMUDFJRJSDR-UHFFFAOYSA-N 435.483 4.567 10 10 IJCE COc1cccc(Cn2nc(C3CCC3)c(C3(C)CC3)c2I)c1O 2079745534 AXIIEBDAFPQJFC-UHFFFAOYSA-N 438.309 4.569 10 10 IJCE CCc1ccc(NCc2ccc(Br)cc2O)cc1I 2128673291 SFSZFPQLSSAIAF-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 2297578811 IHPWMEXRGGJFAX-UHFFFAOYSA-N 439.301 4.943 10 10 IJCE COCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S 2314648180 SLOMSXXCOBOXFO-UHFFFAOYSA-N 441.622 4.627 10 10 IJCE CCN(CC)CCCN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323767670 GEEQHZOPXPAKOU-UHFFFAOYSA-N 431.396 4.521 10 10 IJCE O=C(O)c1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1 2332139429 GLSUWYASSNICMR-UHFFFAOYSA-N 426.753 4.521 10 10 IJCE C/C(=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O)c1cccc(Br)c1 12378697 LVRDGPKVTWCQLS-XNTDXEJSSA-N 434.336 4.943 10 10 IJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N(C)C)cc2[C@@H]2C=CC[C@H]21 14544166 RVPXIPQAKBNDPF-UMEGOILYSA-N 434.561 4.925 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(-c3ccccn3)nc2c1 1859706855 FDYTWDVUOXXPMQ-UHFFFAOYSA-N 445.434 4.918 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OCC 1860087597 IYOPECNQAYQVFW-KEBDBYFISA-N 445.562 4.907 10 10 IJCE CCC(=O)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860646496 OICQQEUWSIJKDQ-GOSISDBHSA-N 442.581 4.714 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2Br)c(O)c1 2079037453 JIJAYGGBNKCTKR-CYBMUJFWSA-N 433.224 4.766 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163265591 ZFHNCTGBSOTBNZ-WZONZLPQSA-N 429.402 4.995 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314482507 MRXLZHSIWVGLKV-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314836210 BMMUCTNDIJPWGX-INIZCTEOSA-N 438.574 4.870 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1)C(=O)O 2314930745 IPFQCFFPDBQXPF-SFHVURJKSA-N 441.530 4.537 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3CC)C2=O)ccc1OCC(=O)O 2314932326 MGXKDJHYHJPNPG-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc(N(C)C)cc2)cc1 2332096543 TXDOEQXWXOCFOT-UHFFFAOYSA-N 429.495 4.730 10 10 IJCE Cc1ccc(CNC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(O)c1Br 2352944509 JAOXWEMVJXAMRL-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccccc3F)N2)c1O 20764070 LYSPWHIHUMCJFB-NLFFAJNJSA-N 434.467 4.881 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 35549205 RGGIYBYNDNBENF-JWGURIENSA-N 445.544 4.971 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C\C(=O)O)c(Br)c1 382627876 WDYRYCWZXZZTCI-CCCPALQASA-N 429.358 4.648 10 10 IJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@H]1c1ccc(O)c(O)c1 526212558 ZWAIECUOJXFHAT-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CCNCc1ccc(N2CCC(CN(C)Cc3ccccc3)CC2)c(Br)c1 717524933 XPTNDOQKJYCSQA-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CCOC(=O)c1c(NC(=O)CCc2cncnc2)sc(C)c1-c1ccc(Cl)cc1 1866148992 UILDNKSEXSRRPM-UHFFFAOYSA-N 429.929 4.915 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2cccc(Br)c2O)C1 2100260536 ZOJQMPZOCNKUQT-GOEBONIOSA-N 427.383 4.718 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2180959023 ACSQZDVSABOKFW-GFCCVEGCSA-N 438.326 4.959 10 10 IJCE CC[C@H](NC[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2205648146 GHPFHVNHMGJXRO-UNQWWWNPSA-N 439.394 4.841 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OC)cc3OC)SC2=S)cc1 2296763224 MWXIBAQTCDXOKX-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE Cc1ccc(COc2ccccc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2296820856 POGWOOCABJPIAY-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)C(=Cc4ccsc4)SC3=S)ccc21 2321721256 CCBCURDPKYFDFE-UHFFFAOYSA-N 433.535 4.929 10 10 IJCE Cc1ccc(OC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 1471696 UUVFOOVUNQVZKE-UHFFFAOYSA-N 429.545 4.964 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 13643867 MXPJUCMCPQXBRX-IMSXRSKXSA-N 425.598 4.610 10 10 IJCE CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCCC(=O)O)c(OC)c2)SC1=S 16911955 OUMLPWSHDUPJIK-CPNJWEJPSA-N 443.546 4.517 10 10 IJCE COc1cccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)c1OC 20071101 XXRRSQTXBDQUFM-IBVKSMDESA-N 446.503 4.969 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=S 40888914 AEOCEYNBVUZTAI-RGEXLXHISA-N 429.563 4.783 10 10 IJCE Cc1cc(Br)c(O)c(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1 781911204 YNIIWJHJKUNFQZ-UHFFFAOYSA-N 427.383 4.731 10 10 IJCE CC(=O)c1cc(F)cc(CN(C[C@@H](O)COc2cccc3ccccc23)C(C)C)c1O 1657201732 RWWVPTNCMAMOKM-OAQYLSRUSA-N 425.500 4.537 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1 1860085410 JEBFDFXXMBKNGW-LICLKQGHSA-N 433.938 4.931 10 10 IJCE CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1 1865666064 AZSBSZHYRJCJOM-OQLLNIDSSA-N 447.304 4.884 10 10 IJCE COc1cc(Br)cc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)c1O 1865672194 PAWQAEPVVXJLHY-GIJQJNRQSA-N 429.314 4.582 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(C3CC3)C2=O)cc1 1873422263 NWLNSJVQVVSMFC-UHFFFAOYSA-N 433.458 4.727 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]12)c1cc(Br)ccc1O 1925998301 ZXIOHTOOGCNNNI-BZZMCLGOSA-N 439.394 4.983 10 10 IJCE CCN1CCc2cc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044702157 KGUHYXCKOFYDIA-NTUVXCKYSA-N 440.584 4.601 10 10 IJCE CC(C)(C)c1nn(Cc2cccc(F)c2O)c(I)c1C(C)(C)C 2079821526 XLOAHNPTJNBLJH-UHFFFAOYSA-N 430.305 4.976 10 10 IJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2080054805 VTXQAXFDEVOKLJ-INIZCTEOSA-N 437.334 4.745 10 10 IJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 2293704369 CKZGJPQQMQWMKZ-UHFFFAOYSA-N 440.883 4.879 10 10 IJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2c(C)cccc2C)c1C 2294034700 ZAVWEAZMQWTXCW-QFIPXVFZSA-N 448.563 4.563 10 10 IJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 2294400597 OWRZZQULFHBUEI-UHFFFAOYSA-N 442.899 4.584 10 10 IJCE Cc1ccccc1OCCCn1cc(C=C2C(=N)N3N=CSC3=NC2=O)c2ccccc21 2297461334 YELARKSWNLANPI-UHFFFAOYSA-N 443.532 4.668 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccccc3)C(=O)N=C2S1 2297499729 YCTOPFHZTPFCQO-UHFFFAOYSA-N 434.521 4.564 10 10 IJCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(C)c(Br)c1O 2352675486 HGMQYRZEWFUEAW-HOCLYGCPSA-N 427.383 4.588 10 10 IJCE COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14468035 BAQMRKDOPOOFSK-AUSJPIAWSA-N 433.335 4.902 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 16911882 TTZWSJVIKKXOLO-XDHOZWIPSA-N 443.546 4.571 10 10 IJCE CC(C)NCc1ccc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c(Br)c1 323526977 KJRFNHXXEHZCBC-LJQANCHMSA-N 430.434 4.905 10 10 IJCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccc(OCc2cscn2)c1 751298642 CZHKSCJTPOHZFE-UHFFFAOYSA-N 427.489 4.684 10 10 IJCE C[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O 756552467 FRAVOGCEKNAYKF-STQMWFEESA-N 431.346 4.592 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)Cc1ccccc1C 1857996901 MXOHMQYOAFXDAA-UHFFFAOYSA-N 443.500 4.560 10 10 IJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccccc2)cc1OCCO 1870788929 CIXFZOAMPXKBIA-UHFFFAOYSA-N 441.531 4.623 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNCc1cc(Br)cc(F)c1O 2145600430 PVVPHKKNYASWTH-JLTOFOAXSA-N 443.357 4.563 10 10 IJCE COc1cc(C=C2N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 2297300667 QFMYAVBLEWPGRG-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC1=Cc1cccnc1 2314952133 UOLSQSQTMYOBAZ-HXUWFJFHSA-N 426.501 4.609 10 10 IJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)C1=O 2332106512 ASFLMHUFQCDXPE-UHFFFAOYSA-N 442.515 4.933 10 10 IJCE Nc1ccc2c(ccn2Cc2ccc(I)c(Br)c2)c1 2349927529 KGJDGFVGTPKUCD-UHFFFAOYSA-N 427.083 4.639 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=S)N=C2O)cc(Cl)c1OC 34930396 XZYPNJXZZIHXMH-ZSOIEALJSA-N 430.913 4.646 10 10 IJCE Cc1cccc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCOCC3)nc12 40562479 YYNFSSHSMZOWKH-RGEXLXHISA-N 439.606 4.524 10 10 IJCE Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S 210230626 QIZHNVAWYIFSAB-DHLXRRMGSA-N 426.475 4.563 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031276 ZKAOJHGDFVUOLN-AGHHOFFYSA-N 428.418 4.960 10 10 IJCE C/C(=C\c1cccc(C(F)(F)F)c1)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 808381735 SWDMEUYUSUQRJW-KEWOFRHOSA-N 431.502 4.600 10 10 IJCE Oc1ccc(Br)cc1CNCc1c(Br)cccc1Br 2094134410 QSMAUZMSQGGEEO-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE CC(C)CNCc1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(Br)c1 2152209897 QYHXNAQYKREIBQ-OAQYLSRUSA-N 430.434 4.905 10 10 IJCE CN(CCOc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2174630656 WKWHSPCQICLUSO-UHFFFAOYSA-N 435.362 4.989 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1)c1cc(Br)ccc1O 2201993024 PHOYEDPVYKSRAD-DNBIXMRYSA-N 439.394 4.887 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280275556 NMOBYMWQESUXSS-NSHDSACASA-N 445.142 4.710 10 10 IJCE CC(C)(C)NC(=O)CCCN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2297580255 OIAKNSWGPVKQFA-UHFFFAOYSA-N 430.517 4.602 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C(=O)O)c2)C1=O)C(C)=O 2314928528 XMLBMNROSZGDAK-KRWDZBQOSA-N 441.530 4.537 10 10 IJCE Cc1ccc(CN[C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352946656 MHRQPZZOJPBPHD-ZBFHGGJFSA-N 427.383 4.731 10 10 IJCE Cc1cccc(Cc2cnc(NC(=O)CCCCCN3C(=O)[C@H](C)SC3=S)s2)c1 11636550 YEWGRKMDPXLZSN-HNNXBMFYSA-N 447.651 4.790 10 10 IJCE COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1cc(OC)ccc1OC 33725610 JPIWYDIWEYNPPE-QGMBQPNBSA-N 448.302 4.888 10 10 IJCE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 35263023 OFQAEYCVUHQPGH-VBEHJTROSA-N 447.965 4.682 10 10 IJCE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 35446283 IJCIMBSFTVUPCM-XSFVSMFZSA-N 433.558 4.935 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 226847283 QUHBTBGHRMZVAG-RNHFSVANSA-N 432.545 4.740 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526434180 RANOWZLMIGPJOZ-DEOSSOPVSA-N 445.471 4.756 10 10 IJCE Cn1ccc([C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccc(F)cc2)n1 775627618 OHFWGLAJFDNUAX-JOCHJYFZSA-N 430.474 4.509 10 10 IJCE Brc1nnc(-c2ccc(NCc3ccc(N4CCSCC4)cc3)cc2)o1 784570764 HPFHSKATVNSJJC-UHFFFAOYSA-N 431.359 4.664 10 10 IJCE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1C 1084183417 OYZUGFUSFUKUQX-UYRXBGFRSA-N 447.535 4.681 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)CCCCCCCCCCN)N2CCCCC2)cc1 1866012928 HYYLIKAYJDXEJG-VWLOTQADSA-N 430.681 4.865 10 10 IJCE Cc1ccc([C@H](n2nc(C3CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2078993568 GTVCUXKKZISWOA-KRWDZBQOSA-N 438.309 4.827 10 10 IJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(CO)c2Br)C(C)(C)C)c(O)c1 2079854572 KEVZCRPDNRSWCX-AWEZNQCLSA-N 437.256 4.506 10 10 IJCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079984910 IWOXOKYXIGQOTL-KRWDZBQOSA-N 439.350 4.734 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2094044650 ZVQXZZKLDQPVFB-RDJZCZTQSA-N 425.367 4.595 10 10 IJCE COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2294082147 IBNSGGUUPHQFPS-UHFFFAOYSA-N 446.286 4.657 10 10 IJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 2321683218 FADKUYUOZIJBRF-UHFFFAOYSA-N 433.898 4.612 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127430 XOJYETIIPQDOHF-UHFFFAOYSA-N 446.890 4.954 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381138491 VPHXMQZKJAGTEC-HYVNUMGLSA-N 439.394 4.588 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C/c3ccccc3OC(C)C)cc12 3649886 ZIVQBTZZLOJPLL-DHZHZOJOSA-N 431.536 4.819 10 10 IJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCC)C1=O 33467328 HJUPHFFIBWHMEI-GHRIWEEISA-N 444.626 4.606 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 382446884 KANXFJPUGKPXDT-LXZKKBNFSA-N 427.383 4.889 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)C12CCCC2 706872691 OPZAQAWIUYDFIL-KRWDZBQOSA-N 425.367 4.567 10 10 IJCE C/C(=C\c1cccnc1)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1584260603 GPFFWCXYNKJGJX-SCZPIIQISA-N 430.321 4.792 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](C)C(=O)N4)c(C)s2)c(C)c1 1859572576 RDHXFJIMOOVTEG-ZDUSSCGKSA-N 427.551 4.592 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cccc(C)c5)[nH]c4c3)CC2)cc1 1861869441 HGSVWGUKMDOTLJ-UHFFFAOYSA-N 426.520 4.509 10 10 IJCE COC(=O)c1c(NC(=O)CCC(=O)N2CCCCC2)sc(C)c1-c1ccc(C)cc1 1866187721 GVWUWSYFIAPXPC-UHFFFAOYSA-N 428.554 4.550 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079137633 OZEPXCRYJVKKAE-MRXNPFEDSA-N 442.297 4.569 10 10 IJCE CC1(C)CC[C@H](NCc2cc(Br)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155356741 HBRNDCPKKLRLJV-RDJZCZTQSA-N 441.410 4.964 10 10 IJCE C[C@@H](O)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163341763 KIAMOTVVKIRQDM-GOSISDBHSA-N 429.402 4.995 10 10 IJCE CC[C@H](NC[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2200855875 DCARNKUFJCRLOR-FNXXIHLHSA-N 439.394 4.843 10 10 IJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1cnn(-c2ccc(C)c(C)c2)c1 2297306766 ILMULYUJJINOJQ-UHFFFAOYSA-N 434.883 4.647 10 10 IJCE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl 2313510690 FMSVVNOWOGDQED-UHFFFAOYSA-N 446.330 4.917 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879838 KNLOIUQVMBUDIR-HXUWFJFHSA-N 442.606 4.598 10 10 IJCE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc(Br)c1O 2332110890 MZINPYDOYUQPGS-UHFFFAOYSA-N 443.341 4.839 10 10 IJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)o2)cc1 33345607 IQAZASMAGKVZAI-UYRXBGFRSA-N 430.416 4.548 10 10 IJCE COc1ccccc1/C=C1/N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O 34139260 PYDCMRBOPSEUJW-DEDYPNTBSA-N 432.451 4.686 10 10 IJCE Cc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1 34683950 YQJDJJGMVMWZMS-UHFFFAOYSA-N 436.577 4.561 10 10 IJCE Cc1cc(CCNC(=O)C(=O)Nc2ccc3oc(C(C)C)nc3c2)c(C)n1-c1ccccc1 737083423 USAIIMDHAWJZMH-UHFFFAOYSA-N 444.535 4.656 10 10 IJCE C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)S2)C[C@@H](C)O1 1772724222 KXWNMAFBORCRNF-QLCJNQITSA-N 444.560 4.619 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 1878709911 KANURUFVVCFHSC-NVXWUHKLSA-N 445.735 4.663 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NCc3cc(Cl)cc(Br)c3O)[C@@H]21 1966018575 KPKUBSLNUFYWHO-FVQBIDKESA-N 445.785 4.686 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1999527737 RHQNMIVBDSZDOA-DHIUTWEWSA-N 427.589 4.513 10 10 IJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2053497607 AEJXDXBTVHTSFF-UHFFFAOYSA-N 436.518 4.669 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CNCc2cc(Cl)cc(Br)c2O)cn1 2112870669 GHIRVAOSKQKMQA-UHFFFAOYSA-N 442.741 4.840 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3cc(Br)ccc3O)CCC[C@H]12 2165309590 NXLSSVBGLISTTQ-GHTZIAJQSA-N 439.394 4.814 10 10 IJCE CC[C@H](NCC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2177554871 ZRCPARYAAUHSHA-KRWDZBQOSA-N 439.394 4.843 10 10 IJCE CN(c1ccc(CNC2CCC2)cc1Br)[C@H]1CCN(Cc2ccccc2)C1 2240088174 OGGFHECJZYXUDM-NRFANRHFSA-N 428.418 4.802 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280265691 GHROFNOMRGSMNW-NSHDSACASA-N 446.126 4.743 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccccc3OC)C2=O)cc1 2297451053 HDWHDIDYNKRLMW-UHFFFAOYSA-N 427.595 4.812 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c1 2314769747 UVYHWJLWQXVINN-IBGZPJMESA-N 427.547 4.591 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1OC 2321613327 ARWXDVYVKQBGOR-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1OC 2323790418 BVIJVMOJRYQTFH-UHFFFAOYSA-N 443.590 4.935 10 10 IJCE CCOC(=O)[C@H]1CCCN(c2cc(NC(C)C)c3c4c(onc24)-c2ccccc2C3=O)C1 9641755 NKLZMZVUKNCPNC-HNNXBMFYSA-N 433.508 4.639 10 10 IJCE CS(=O)(=O)Cc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 10912952 XHZVXEMUFURDCI-RUZDIDTESA-N 445.540 4.609 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702615 OFUVREVPJWMZBX-PNCHPQGNSA-N 434.536 4.975 10 10 IJCE O=C(CN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)N1CCCCC1 211947840 BDXFGVDPXAAIPM-HMMYKYKNSA-N 444.622 4.612 10 10 IJCE COc1ccc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC 745807592 FKFZTABKXVFAQN-SFHVURJKSA-N 426.557 4.885 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1 1860085779 ZRSYZQZFALYUAS-OVCLIPMQSA-N 440.329 4.891 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc(F)ccc2F)sc(C)c1-c1ccc(C)cc1 1860748552 GFFBMJJGXIUEOK-UHFFFAOYSA-N 444.459 4.674 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664199 FLSPLLGXLWCUOI-FYJGNVAPSA-N 448.906 4.893 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cccc([N+](=O)[O-])c2)cc1 1865676458 DECOQAQJYXZERD-HYARGMPZSA-N 431.423 4.573 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3cc(Br)ccc3O)CCC[C@@H]12 2165309591 NXLSSVBGLISTTQ-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE CN(CCOc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2174628198 HOQKEURHBMIAGH-UHFFFAOYSA-N 435.362 4.989 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 2294516760 BYBFKPJAYUOCID-UHFFFAOYSA-N 435.936 4.524 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 2297327364 JCTVUDASHGXKBS-UHFFFAOYSA-N 445.431 4.976 10 10 IJCE CCc1ccc(OCCCOc2c(C=C3SC(=S)N(C)C3=O)cccc2OC)cc1 2297347195 IXUAGQOUWJTOIV-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N2O1 2297347740 YJAQNKOJNJZOKN-UHFFFAOYSA-N 431.492 4.602 10 10 IJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1c1ccc(F)cc1 2297366171 AMCHKGJUJGJDOW-UHFFFAOYSA-N 441.290 4.836 10 10 IJCE COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 2297732921 BYWIPJKWNNUQKI-UHFFFAOYSA-N 432.427 4.956 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Br 2381137825 KBWUTIIJXHCYOF-OIISXLGYSA-N 439.394 4.731 10 10 IJCE CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1 210408515 HLISDOZJNUSHII-UYRXBGFRSA-N 427.547 4.898 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)c(O)c1 526499627 RUXWUKTWHNOSMZ-QHCPKHFHSA-N 447.487 4.871 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 708077221 QARKSONZHWKEGG-MOXGXCLJSA-N 435.793 4.808 10 10 IJCE CC1(C)C[C@H](NCc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)C1 710460536 OWKJQOYJUPWYGP-MRXNPFEDSA-N 427.383 4.670 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)c1O 1171407498 KNXZYZMWCBQHDA-OAHLLOKOSA-N 436.980 4.860 10 10 IJCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)n12 1860086205 QFJGHMIILWDLGC-RIYZIHGNSA-N 434.999 4.829 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccccc1O 1901485445 KPHOCMWDCOYZJV-MZNJEOGPSA-N 444.531 4.887 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3cc(Cl)cc(Br)c3O)[C@H]2C1 1962829628 GYQYJVOCHISRBH-PJODQICGSA-N 445.785 4.543 10 10 IJCE Oc1ccc(Br)cc1Cn1nc(C2CCCC2)cc1I 2070043336 ALHKSUQGYGLYDK-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Br)cc(F)c2O)CC1(C)C 2172452402 DIEFQCVDNDWWFW-ZDUSSCGKSA-N 445.373 4.809 10 10 IJCE CC[C@H](N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)c1cc(Br)ccc1O 2193242491 OAABZCQOELVTCE-FHWLQOOXSA-N 439.344 4.961 10 10 IJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)cc2)SC1=S 2314761285 RKTCAUUWSSFCOZ-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936669 ZSLGNQKPJQKVJU-INIZCTEOSA-N 443.546 4.733 10 10 IJCE O=C1C(=Cc2ccccc2Br)SC(=S)N1Cc1ccc2c(c1)OCO2 2323756721 WWAXDEOZZULBDZ-UHFFFAOYSA-N 434.336 4.579 10 10 IJCE COc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@H]21 14546048 NHJNLFGLHGVUEZ-UMEGOILYSA-N 438.593 4.942 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCc2ccc(F)cc2)cc1 17098384 CWQYLUGRFAYBOP-XQNSMLJCSA-N 433.458 4.788 10 10 IJCE O=C(Nc1cccc(N2CCCC2)c1)c1cc(I)ccc1Cl 20974824 RBEIRKKNXQTDCL-UHFFFAOYSA-N 426.685 4.797 10 10 IJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 250558128 BQXCCFYSGICHHY-UMEGOILYSA-N 448.544 4.749 10 10 IJCE CC[C@]1(CNCc2cc(Br)ccc2O)CCCN(C(=O)OC(C)(C)C)C1 381633335 BZBABEAQIQXMSS-HXUWFJFHSA-N 427.383 4.672 10 10 IJCE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 742563452 JZVPAIVKRFLAPL-UHFFFAOYSA-N 447.608 4.971 10 10 IJCE COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)c(O)c1 797388903 FPEBBVHXRAPGOA-UHFFFAOYSA-N 445.302 4.630 10 10 IJCE Brc1cc(CNCc2ccnc(-c3ccccn3)n2)ccc1N1CCCCC1 1461718768 HPDIMTZGSVSDSS-UHFFFAOYSA-N 438.373 4.581 10 10 IJCE CC(C)CCOc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858853935 MHSXXHFCJSPYCZ-UHFFFAOYSA-N 429.476 4.926 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865860117 KYFNPISNXVCMNR-DEOSSOPVSA-N 445.563 4.934 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867980141 GTUDTEZZJYWPHI-UHFFFAOYSA-N 449.986 4.732 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951665015 PWPWIGQTSNTYMK-QFIPXVFZSA-N 433.460 4.542 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](OCc4ccccc4)C3)ccc(N)c2C1 2066312931 FCMNSHYVKSGYAM-FQEVSTJZSA-N 437.584 4.748 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3c(O)cccc3Br)CCC[C@H]12 2098312873 PMKMLFGTGOOONV-FXAWDEMLSA-N 425.367 4.567 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(C=CC(=O)O)cc2Br)C1 2169009519 RYSFBWZYPQLYQS-LJQANCHMSA-N 429.358 4.648 10 10 IJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2297321457 CGHOWXZPGKBUGQ-UHFFFAOYSA-N 446.532 4.514 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 33431329 SYYJGKTUFWWKTG-KQWNVCNZSA-N 443.459 4.837 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1 65025774 WQYKXCLEBKYJOK-UHFFFAOYSA-N 443.595 4.910 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3nn(-c4ccccc4)c4c3CCCCC4)CC2)cc1 108433838 ZTQPWEPQFOFXPU-UHFFFAOYSA-N 444.579 4.502 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1nccs1 210757896 ZYEBKGGRSHWTDA-NTCAYCPXSA-N 435.571 4.683 10 10 IJCE Oc1c(F)cc(F)cc1CNc1cc(Br)ccc1I 708419253 AUVRYMLATYNQEB-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 741284584 MNWKIKBLFHCHOD-QXAKKESOSA-N 435.442 4.602 10 10 IJCE O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2cccc(C(F)(F)F)c2nc1O 1638306337 WYMWKCVMTMGQGF-UHFFFAOYSA-N 431.197 4.902 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)ccc1OC(=O)c1ccccc1 1865675949 IXLRSNJJOIEKEN-HYARGMPZSA-N 444.462 4.855 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(F)cccc3c2=O)sc(C)c1-c1ccccc1 1866072156 HNTZIIMXBCRJRK-UHFFFAOYSA-N 436.464 4.743 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(C(C)C)C2=O)cc1 1873166644 FBSMEVGPWGSTFD-UHFFFAOYSA-N 431.511 4.511 10 10 IJCE CN[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2029549856 OFXMHCSVFUWUED-QFIPXVFZSA-N 439.600 4.602 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)SC2=S)cc1Cl 2040470175 JOURNEYKLUGJAB-UHFFFAOYSA-N 446.981 4.591 10 10 IJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 2293391531 YVRXBXZQQCBLLQ-UHFFFAOYSA-N 448.903 4.563 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 2313682765 KGAAHJQQIQNQDX-UHFFFAOYSA-N 429.495 4.692 10 10 IJCE CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141042 DLVYMBLWWATQCX-UHFFFAOYSA-N 448.262 4.869 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471385 FCMNBQMWLLCLLL-YVHKJVDXSA-N 441.915 4.841 10 10 IJCE c1ccc(-c2cnc(SCCCc3nc(-c4ccncc4)no3)n2C[C@H]2CCCO2)cc1 71844551 FKDGHPWKTLQEAF-HXUWFJFHSA-N 447.564 4.899 10 10 IJCE CCCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 109181170 FYZRAEDAIKVNSK-LOULHMMLSA-N 438.568 4.601 10 10 IJCE C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 109295928 BZFOQCZQWSARSA-KRWDZBQOSA-N 427.976 4.544 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 109967128 MMQZBNZPBDYDQA-YRNVUSSQSA-N 447.510 4.521 10 10 IJCE CCCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586609876 MAEXMENNADLZCA-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE C[C@@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 715761889 VVFCSBPGMHBQFN-QQDQCYIDSA-N 443.357 4.560 10 10 IJCE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2cc3ccccc3c(O)n2)cc1 1144704702 VMNGVYLNAWIXCM-UHFFFAOYSA-N 441.531 4.791 10 10 IJCE COc1ccc(N(C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 1307442822 PBNVRRBELRIUKT-UHFFFAOYSA-N 431.945 4.864 10 10 IJCE C/C(=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(F)cc1 1444505779 KJSQSBPONJOICC-XEPMYJLFSA-N 441.547 4.677 10 10 IJCE CC(=O)c1ccc(Br)cc1OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C 1458990918 AYRCCXFAYBSHFG-UHFFFAOYSA-N 445.288 4.855 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cccc(Br)c1O 1634724517 CYECODNWWXZMSG-PKNBQFBNSA-N 430.220 4.773 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)c1O 1653150437 JKEJKOWLANGVSX-HNNXBMFYSA-N 428.504 4.880 10 10 IJCE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc(O)c(O)c(O)c1 1865876415 JUUPJBMFOVPCHK-UHFFFAOYSA-N 427.478 4.578 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873167149 UPCUWDVYVHPSRS-UHFFFAOYSA-N 445.950 4.780 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2139854511 BLRBBAMEHVXOOE-HNNXBMFYSA-N 447.801 4.933 10 10 IJCE C[C@@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152187869 XODDIBUCYYJGHP-IAGOWNOFSA-N 429.358 4.646 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@@H]2CCCC[C@H]21 2179396643 WEAVWIORLADZNZ-BHYGNILZSA-N 443.357 4.562 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2cc(Br)ccc2O)CC1 2277879299 ZVBKKHTWRZRGLW-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2ccccc2I)cc1Br 2280269195 BEUUQTBBXOXUOL-NSHDSACASA-N 446.126 4.743 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(Br)ccc2O)C(F)(F)CC1 2284577753 JFWDKMWOTJPFCQ-INIZCTEOSA-N 449.336 4.669 10 10 IJCE CC1=NN2C(=N)C(=Cc3ccc(OCCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 2293993117 DWYZZRYCHMUKRZ-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 2296223253 IWOXVUNJHJVIJR-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE Cc1cccc(COc2ccccc2C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 2313559528 ZMVJPSGVYZVKCD-UHFFFAOYSA-N 446.503 4.544 10 10 IJCE Cc1ccc(CNC[C@@]2(C)CC(F)(F)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381134894 JLXUTMCIMRDQCE-GOSISDBHSA-N 449.336 4.588 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2381141170 VRKYHARCTCBPKZ-KKSFZXQISA-N 439.394 4.732 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 14460618 SQVUOGYRHWFBOD-QUZFRVLNSA-N 444.984 4.624 10 10 IJCE CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(CC(=O)OCC(C)C)C1=O 206475945 GOAOXBZQEFBXQN-YBFXNURJSA-N 429.563 4.639 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 226887094 LWXFTLBKTRDOKY-UNKHORCTSA-N 442.581 4.607 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526216583 KUCKYRDTEVSGRB-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE Cc1cc(CCNC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1 747579872 DEJHBXSWIOVDMS-QPHCHLROSA-N 437.609 4.777 10 10 IJCE CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 1270431209 IEHJXMAABVBNRL-FUHWJXTLSA-N 428.960 4.863 10 10 IJCE Brc1cc(CNCc2ccc(-n3cccn3)cc2)ccc1N1CCCCC1 1308199919 GIEPDUUASONHOT-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 1860073401 AXFGHTTVIJJSJQ-DEDYPNTBSA-N 440.590 4.561 10 10 IJCE CC[C@H](N[C@@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2201993026 PHOYEDPVYKSRAD-ZVEIASASSA-N 439.394 4.887 10 10 IJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)c1C 2313548266 QLXYJGWLYFGOOO-UHFFFAOYSA-N 449.304 4.886 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314829032 YUOFAJFLUFJBJR-UHFFFAOYSA-N 446.981 4.974 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])c2)c1 2321591379 AXKMWXGEVLMPPO-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Br)c(O)c(OCC)c1 2332110970 VDOLGHVGEBIJBV-UHFFFAOYSA-N 430.302 4.535 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2ccc(Br)cc2O)C[C@H]2CCCC[C@H]21 2358978498 MSWXBPHARZNKAA-ZTFGCOKTSA-N 439.394 4.813 10 10 IJCE CC1=CN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 33528631 YFQGIQGAQUIOOI-RLPJPJOASA-N 428.517 4.887 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccco4)S3)[C@H](c3ccccc3O)C2)cc1 54201412 RNXFMHYAYRSJJF-CWGWECIMSA-N 445.500 4.815 10 10 IJCE CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 102640885 XIMQVRBBJPDKOO-JUVBEIPNSA-N 437.481 4.910 10 10 IJCE COc1ccc(CCNC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 109622144 BLAFDCBZYCDXOV-UHFFFAOYSA-N 449.498 4.572 10 10 IJCE Cc1cc(O)c([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687752832 UITYFXRFDNDPEJ-SANMLTNESA-N 447.487 4.635 10 10 IJCE O=C1CCc2cc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)ccc2N1 914794434 CWPXXRLHCYJBBG-QFIPXVFZSA-N 439.475 4.731 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(OC)c3)C2=O)cc1 1860085670 SBSXUIQASFKPIF-DEDYPNTBSA-N 428.579 4.956 10 10 IJCE CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930907 VIVUBZZTJSSKRM-SQJMNOBHSA-N 437.628 4.987 10 10 IJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422052 CUUFYKBNNDREED-UHFFFAOYSA-N 441.531 4.847 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2078983613 ZTSKRTBKOYWCJT-KRWDZBQOSA-N 426.298 4.683 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]21 2137359201 VVDHHVVPZFJANQ-DVUFPGTOSA-N 445.785 4.590 10 10 IJCE CCN(CC)CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1 2152219076 SSAAIVQPNCFXCQ-UHFFFAOYSA-N 431.374 4.895 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)CC12CCCC2 2155199610 ILQBWWKJNFMRBD-OAHLLOKOSA-N 443.357 4.706 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163315951 BCPQHIADJYRWSA-JPYJTQIMSA-N 428.418 4.961 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 2314731612 COEZPVQDDGEYRX-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE CCOc1ccccc1N1C(=O)C(=Cc2ccccc2O[C@@H](CC)C(=O)O)SC1=S 2314934418 ZPIWCNVYQJLSGP-INIZCTEOSA-N 443.546 4.733 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2356973860 FTYJNVQBZMGNAA-KPDCDPCYSA-N 428.418 4.830 10 10 IJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCC)C1=O 33470524 HZZDDNYDLYFABR-ICFOKQHNSA-N 444.626 4.688 10 10 IJCE COc1ccccc1NC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 34988801 BSCHPJLGKONCCU-UHFFFAOYSA-N 439.309 4.739 10 10 IJCE CC(C)Oc1ccccc1/C=C1\SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 96444119 CEJWNJPNFFEHJB-STZFKDTASA-N 441.984 4.920 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(Br)cc1 96822586 YRFMTONVAJDDRA-XDHOZWIPSA-N 426.310 4.630 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc(Br)ccc1O 389763052 ZWPRWNAMVIZETG-XOKHGSTOSA-N 427.383 4.841 10 10 IJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCSC1 1705590886 YVWKPDIXDSRITF-JOCHJYFZSA-N 443.620 4.569 10 10 IJCE CCN1CCc2cc([C@H](O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044715568 VGRWLAZKSJUVHP-ISKFKSNPSA-N 440.584 4.603 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNCc1cc(Cl)cc(Br)c1O)C2 2117675574 JACZNXYZMWAHMK-WPGHFRTFSA-N 445.785 4.686 10 10 IJCE CC[C@H](NCC1(CC)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2121531183 GNGIBUCKWPLYPA-INIZCTEOSA-N 427.383 4.843 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262750 WTKDBSUPOAEKSZ-AGHHOFFYSA-N 428.418 4.960 10 10 IJCE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2cccc(C)c2)SC1=S 2293104176 NZKYICGJXODBOW-UHFFFAOYSA-N 444.534 4.582 10 10 IJCE COc1ccc(-c2n[nH]c(=NC=C3C(=O)N(c4cccc5ccccc45)N=C3C)s2)cc1 2297453662 GGZMBTUZMITOTA-UHFFFAOYSA-N 441.516 4.507 10 10 IJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314836428 FFODRHJYGCUGQU-HNNXBMFYSA-N 426.563 4.622 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140536 OJGCPVOQWYOZEQ-UHFFFAOYSA-N 428.488 4.855 10 10 IJCE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)o1 33334142 KVAWEDKUAVKZKY-UYRXBGFRSA-N 446.484 4.713 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CCNCc1cc(Br)ccc1O)c1ccccc1 312185018 IPCRFCSXTDVZJE-SFHVURJKSA-N 435.362 4.900 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)c(Br)c1)C1CCN(Cc2ccccc2)CC1 312626654 BMLLCRJVEBAPCV-NTMALXAHSA-N 429.358 4.648 10 10 IJCE CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C2=O)c1 1084034153 VCCHUGNMDUROQP-ZHZULCJRSA-N 448.500 4.804 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)cc1 1859570475 NJAFZIZLHFGPHA-UHFFFAOYSA-N 427.551 4.503 10 10 IJCE CCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870907889 WIXBTNSEIIDSPT-UHFFFAOYSA-N 449.551 4.944 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cnc(Br)s1 1962860222 GLHXTYSMERIYPV-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CC(C)(C)OC(=O)N[C@@](C)(CNCc1cc(Cl)cc(Br)c1O)C1CCC1 2137707134 AWCIWYKGVUOWQQ-IBGZPJMESA-N 447.801 4.981 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1Br 2234717420 DPSLUUUYHQIXPX-SZPZYZBQSA-N 428.418 4.802 10 10 IJCE CCc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)[C@H](CC)SC3=S)s2)cc1 11636334 OJNMRGKGBXOPEI-KRWDZBQOSA-N 447.651 4.654 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1 33432219 IZACBFSGCBGGMK-KOMLCTQHSA-N 441.574 4.654 10 10 IJCE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 103704342 KVYICKHCBSDCCC-WQRHYEAKSA-N 428.579 4.677 10 10 IJCE COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 210444610 NMDAAYUJKMFKGM-UNOMPAQXSA-N 443.546 4.571 10 10 IJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 526210780 GICROGSSAFBQTN-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(Cl)c1 740784188 YULHEBFPNQCUJV-UHFFFAOYSA-N 431.920 4.776 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1O 1653577315 BLEHAHNINRZFII-HNNXBMFYSA-N 429.879 4.817 10 10 IJCE O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1CCCn1ccnc1 1858590910 NZGCEUZNTVCLRQ-RCCKNPSSSA-N 435.574 4.754 10 10 IJCE CNC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1866192396 HGBFIUDAZMQHEL-ZWKOTPCHSA-N 442.581 4.618 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)CC2)cc1 1872882577 NLTFMIBHPXHLBC-UHFFFAOYSA-N 429.564 4.887 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NCc1c(O)cccc1Br 1924834053 ARNNLUDANVXTTJ-KBXCAEBGSA-N 439.394 4.718 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079037395 IKSCGVQAMUAYAY-CQSZACIVSA-N 447.251 4.855 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3c(O)cccc3Br)CCC[C@@H]12 2165301275 IGPQKWDGZVHVFV-NQIIRXRSSA-N 439.394 4.814 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 2297470544 BTXCFAYDJBRHQJ-UHFFFAOYSA-N 443.985 4.996 10 10 IJCE COc1ccc(CNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 2313683081 RHDAKORMRNFELT-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)sc2c1 2314563142 IHEMIVFINLXYPJ-UHFFFAOYSA-N 445.616 4.896 10 10 IJCE CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1O)N(C(C)=O)c1ccccc1-2 15015919 UYIRMYVAZRZQSP-QFIPXVFZSA-N 436.537 4.971 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 20704694 RHKMAENALHRCBX-WHSLLNHNSA-N 441.915 4.841 10 10 IJCE O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCOCC1 20751899 QYDJJZAFCIWBNM-UTAZYMRLSA-N 426.516 4.844 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C(C)=O)c2)c2ccccn2)cc1 54120911 SXSCCBIFZUHNOU-VWLOTQADSA-N 447.579 4.577 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 59861021 GGWZTBQNDRBZKE-UYRXBGFRSA-N 438.480 4.635 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526362334 CABXXZKKQULSMR-RUZDIDTESA-N 443.547 4.884 10 10 IJCE Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c(Cl)cc1Cl 1891672219 XSEBZBHMIULYOT-RDJZCZTQSA-N 425.381 4.769 10 10 IJCE Cc1nc(-c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4F)cs3)cc2)co1 1891710305 SJHRZLFSJLGKQC-UHFFFAOYSA-N 433.461 4.853 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@@H](OCc4ccccc4)C3)ccc(N)c2C1 2066312932 FCMNSHYVKSGYAM-HXUWFJFHSA-N 437.584 4.748 10 10 IJCE Oc1c(F)cccc1Cn1nc(C2CCC2)c(I)c1C(F)(F)F 2079016968 VXCNNEJONCZOAW-UHFFFAOYSA-N 440.178 4.667 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2c(O)cccc2Br)CC12CCCCC2 2155194802 PCSWFWXLVKLIRX-HNNXBMFYSA-N 439.394 4.957 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cc(Cl)ccc1O 2296881743 YQWFKYYRDBSGCV-UHFFFAOYSA-N 438.983 4.727 10 10 IJCE CN(C)c1ccc(C=C2SC(=O)N(CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 2314436864 RGGIYBYNDNBENF-UHFFFAOYSA-N 445.544 4.971 10 10 IJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)N(C)C)cc1 2323879843 KZJPUZRPGMZJKD-SFHVURJKSA-N 432.998 4.853 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc(OC)c1OC 2332114961 HUSWVACZTOWHAJ-UHFFFAOYSA-N 448.441 4.673 10 10 IJCE Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1C 34967060 DKUUDKVYTSVOKA-JOCHJYFZSA-N 439.581 4.698 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccccc3CSc3nc(C)cs3)CC2)cc1 115059996 FLWFQDKWWCMDJC-UHFFFAOYSA-N 439.606 4.715 10 10 IJCE CC[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cc(Br)ccc1O 381657109 ZQNVMLFUNMNDNJ-KBRIMQKVSA-N 427.383 4.983 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(Br)c1 687238577 WTROZMLDXPDZPI-OYRHEFFESA-N 428.418 4.802 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715031278 ZKAOJHGDFVUOLN-PIPMEXSNSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)NCc1cccc(NCc2cc(Br)cc(F)c2O)c1 715815041 WXAZYRUEFLTNSP-UHFFFAOYSA-N 425.298 4.931 10 10 IJCE CC(=O)N(C)c1ccc(CNCc2ccc(N3CCCCC3)c(Br)c2)cc1 1461638739 VSPFLQWUUUTVGS-UHFFFAOYSA-N 430.390 4.712 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865649770 DALAUBQCZGPGRE-UDWIEESQSA-N 434.879 4.590 10 10 IJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873166280 JUXHNXXUMQGWJU-UHFFFAOYSA-N 427.548 4.681 10 10 IJCE CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10909873 FWKOUDYUEXELNC-VWLOTQADSA-N 445.540 4.609 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c(OC)c1 33316875 GKLHSUMCJOYSDA-WQLSENKSSA-N 437.304 4.682 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=O)c1 59536034 JEEWUJPJLYUDEA-STZFKDTASA-N 446.890 4.894 10 10 IJCE Cn1ncc(Br)c1/C=C1/SC(=S)N(c2ccc3ccccc3c2)C1=O 779202416 BCBYIAORCUDHSR-CXUHLZMHSA-N 430.352 4.742 10 10 IJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1C 1084247959 YGMMVUXTCLUMHA-LDADJPATSA-N 449.304 4.886 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCCn1c(O)nc2ccccc21 1644585164 WQMMYLWBYQXONY-UHFFFAOYSA-N 436.556 4.610 10 10 IJCE CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 1658845643 XYDGVWUXUNMHOZ-IBGZPJMESA-N 443.813 4.811 10 10 IJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)c1 1860087795 UKVSIFKWSYVXPM-KPSZGOFPSA-N 426.519 4.600 10 10 IJCE CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872742181 MWBCNQRYSSLWFI-UHFFFAOYSA-N 428.492 4.725 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CC(C)C)C2=O)cc1 1873170357 WPMYZCNSQZQTQL-JPYJTQIMSA-N 433.596 4.998 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3ccc(Br)cc3O)CCC[C@H]12 2098312666 PEBNMXCGUVWCFJ-PXNSSMCTSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)[C@H]1C(C)(C)C 2192482150 YSYNWFUPGAHWGA-RDJZCZTQSA-N 445.373 4.808 10 10 IJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2296390065 DOZDBANFTNHLQM-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE Cc1cc(C)cc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2)c1 2297313917 RPARFCRMOZRTKU-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc(O)cc1 2314831212 FZIJDNGEUOPJFL-UHFFFAOYSA-N 444.553 4.932 10 10 IJCE CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1=O 8644675 QFIQMTWVFKAUIW-AREMUKBSSA-N 447.510 4.582 10 10 IJCE C[C@H]1CCCN(c2cc(NCCN3CCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1 9641202 YQNFBOAFCQPWRF-KRWDZBQOSA-N 430.552 4.783 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638939 ZGKBBQZWMCLTPL-OPYAIIAOSA-N 447.398 4.964 10 10 IJCE NCc1cc(F)c(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715011354 UNYQYKJWQWGXLW-LAUBAEHRSA-N 432.381 4.538 10 10 IJCE COc1cc(N(C)CCOc2ccc(Cl)cc2Br)cc(OC)c1OC 741794999 HMTQUYHFDKWUQF-UHFFFAOYSA-N 430.726 4.644 10 10 IJCE CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc(OCc2ccccc2)cc1 781963997 NQEXHDALBQALSB-UHFFFAOYSA-N 448.544 4.961 10 10 IJCE Brc1cc(CNCc2nc(-c3ccccc3)n[nH]2)ccc1N1CCCCC1 1473999057 NXQGIHWFEJKDRL-UHFFFAOYSA-N 426.362 4.514 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4cccc(C(C)C)c4)o3)cc2)CC1 1556199392 KBOVLJNXNKEMNC-UHFFFAOYSA-N 445.563 4.669 10 10 IJCE Brc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCSCC3)cc2)s1 1560272490 DTFHRLTUCSFLSR-UHFFFAOYSA-N 449.443 4.744 10 10 IJCE Brc1cc(CNCc2nc(-c3ccccc3)no2)ccc1N1CCCCC1 1560739460 KIAVZXJPSQJDQQ-UHFFFAOYSA-N 427.346 4.779 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 1858589127 OBVHINSHLCYYHU-RGVLZGJSSA-N 443.546 4.614 10 10 IJCE Nc1ccc(Oc2ccc(NC(=O)c3ccccc3I)cc2)cc1 1865870980 YQLFXTLCPDZILN-UHFFFAOYSA-N 430.245 4.918 10 10 IJCE CCOC(=O)c1c(NC(=O)CC[C@H]2CCC(=O)N2)sc(C)c1-c1ccc(Cl)cc1 1866204328 WCIVIEKAWRGLKU-OAHLLOKOSA-N 434.945 4.551 10 10 IJCE Cc1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cccc(Cl)c2n1 1866273973 FDHHWEQAHBTFFT-NRFANRHFSA-N 433.943 4.516 10 10 IJCE CC(C)(C)OC(=O)N1CCCC12CCC(NCc1c(O)cccc1Br)CC2 2167907516 YMZWWRRKPXQOHL-UHFFFAOYSA-N 439.394 4.957 10 10 IJCE COc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)N(C)C2=O)cc1 2297335402 MCJPXZLGGSVTKO-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1 2321718219 FGUQVNCOCHTBFG-UHFFFAOYSA-N 449.966 4.550 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641123 MFUBXMYYKKIRMB-BSRJHKFKSA-N 434.536 4.775 10 10 IJCE CC(C)CNCc1ccc(N2CCCN(Cc3ccccc3)CC2)cc1Br 323726866 MEHCSKAPTUJUPE-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526286159 ABTSXHFWCOYBEK-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE Oc1ccccc1CN(Cc1nc(O)c2c(-c3ccco3)csc2n1)C[C@@H]1CCCO1 756335450 IKDCNVZZSZJZJM-INIZCTEOSA-N 437.521 4.544 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)cc2)CC1 1466881830 DZACBGAXICIDTI-UHFFFAOYSA-N 447.623 4.634 10 10 IJCE Cc1cc(Br)c(C(=O)N(C)CCCN=[N+]=[N-])cc1NC(=O)OC(C)(C)C 2124507494 AKXSTVKDSHJLLJ-UHFFFAOYSA-N 426.315 4.877 10 10 IJCE C[C@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2163335960 UKCQGCZTZRTATR-SFHVURJKSA-N 428.418 4.961 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@@H](CNCc1ccc(Br)cc1O)c1ccccc1 2175022459 LFGNNYVLGKCGFO-SFHVURJKSA-N 435.362 4.853 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccc(I)cc2)cc1Br 2280273966 UJBPVHFAJRUFDH-NSHDSACASA-N 445.142 4.710 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2c(O)cccc2Br)C(F)(F)CC1 2284559657 OOCRVAVVTYIJMT-INIZCTEOSA-N 449.336 4.669 10 10 IJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296930560 WNFKCNDBNWAEIQ-IBGZPJMESA-N 449.510 4.913 10 10 IJCE O=C(O)CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 16908065 JLLCQJFRJBXHSM-CXUHLZMHSA-N 437.304 4.929 10 10 IJCE CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O 103867060 HTOSRCXUKOUWCG-FYJGNVAPSA-N 446.466 4.688 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C\C(=O)O)cc1Br 382627389 UZFLLZOQRPISJU-FPISAVPCSA-N 429.358 4.648 10 10 IJCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1 731055480 WEYRGGPROQWSOF-UHFFFAOYSA-N 445.385 4.752 10 10 IJCE CC(=O)c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)c(F)c1 1664099656 MWETUVXEYUEUKE-UHFFFAOYSA-N 434.511 4.635 10 10 IJCE CC1(c2c(C3CCC3)nn(Cc3c(O)cccc3F)c2I)CC1 2079747599 VPRFHNZTNLSTFF-UHFFFAOYSA-N 426.273 4.700 10 10 IJCE COc1ccc(Cn2nc(C(C)(C)C)c(C(C)C)c2I)c(O)c1 2079770886 BXUNJEPUDYIAOK-UHFFFAOYSA-N 428.314 4.671 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]c2ccc(Br)cc2s1 2297512343 BDVOKYXIWMMIFH-UHFFFAOYSA-N 447.745 4.853 10 10 IJCE O=C1C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 2297559919 VDCPHYHNJOHNIC-UHFFFAOYSA-N 435.530 4.829 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2328960304 IKVTXPVFDBODJC-RKTXRCNFSA-N 425.367 4.593 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21)N1CCOCC1 14473005 WPEGNHQGXCLIEN-ZDPZECHZSA-N 439.899 4.547 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1OC 39870294 QOPDPHZISGHHII-BKUYFWCQSA-N 442.537 4.974 10 10 IJCE COc1ccc([C@H](C)Nc2ccc(I)c(Br)c2)c(O)c1 312291678 RMCAFLMWLOGEPY-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CCCN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 380578943 JDMQCRIDZOUMRI-WMQCIHAUSA-N 428.418 4.973 10 10 IJCE Cc1cc(Br)c(O)c(CNc2nc3ccccc3n2CCCn2ccnc2)c1 766110598 XQSUVWKMAJKSDZ-UHFFFAOYSA-N 440.345 4.712 10 10 IJCE Cc1cc(CCNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c(C)n1-c1ccccc1 772047272 NIIWZPDVFPXFSC-UHFFFAOYSA-N 438.959 4.814 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)c1 1860085435 LBXKFASORKAYQP-MHWRWJLKSA-N 449.937 4.550 10 10 IJCE Cc1cc(O)c([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1C 1953058466 JRVVUVYTWORLMT-HOFKKMOUSA-N 443.499 4.848 10 10 IJCE Cc1cc(C=C2NC(=S)N(Cc3ccccc3Cl)C2=O)c(C)n1Cc1ccco1 2042448536 FAZZTISHKXPCQP-UHFFFAOYSA-N 425.941 4.657 10 10 IJCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1C=O 2079137490 NOPZBUDYVDJELJ-INIZCTEOSA-N 426.298 4.512 10 10 IJCE CN1CCC(N(Cc2ccccc2)c2ccc(C=CC(=O)O)c(Br)c2)CC1 2152217150 HPAVOLGCOYRCTG-UHFFFAOYSA-N 429.358 4.648 10 10 IJCE CC1(C)CC[C@@H](NCc2c(O)cccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2155359391 ZHCQYOVVJCEISG-RHSMWYFYSA-N 441.410 4.964 10 10 IJCE CCOC(=O)C=C(C)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(N(C)C)cc1 2297321051 ZLNBCBAEJXUTSZ-ATIYNZHBSA-N 433.552 4.552 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1CCc1nc2ccccc2[nH]1 2321730157 JBAUEYBJHXDITE-UHFFFAOYSA-N 444.379 4.769 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130655 MAMLETJSUIEROQ-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE Cc1ccc(CN2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(O)c1Br 2380787991 XQBHMUPNDFXNMP-HSZRJFAPSA-N 429.402 4.950 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470911 SLBQDACXIZQEOH-ZOCZFRKYSA-N 447.944 4.763 10 10 IJCE Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1cccc(Br)c1 23064867 PMSOEUMKHCTEFB-UHFFFAOYSA-N 442.338 4.511 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cc(Cl)cc(Br)c3O)CCC[C@@H]12 708055573 FXGHKCNQDSZKHW-BEFAXECRSA-N 445.785 4.830 10 10 IJCE CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3sccc3Br)cs2)c1 727248035 AJDLJGQPUDKGIA-UHFFFAOYSA-N 443.369 4.638 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c(C)c1 1084482595 PKZRPFQOPGIUSO-MTJSOVHGSA-N 447.535 4.681 10 10 IJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C(C)(C)C)nc2O)cc1 1479109732 UWERNMDYUQHKIP-UHFFFAOYSA-N 436.556 4.656 10 10 IJCE CC(=O)N(c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)[C@H]1C[C@H]1C 1671652471 OFIXRAWUYHMAAU-HXOBKFHXSA-N 433.508 4.981 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c(OC)c1 1860085024 HATFBTWIYXLPDI-CXUHLZMHSA-N 436.352 4.872 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)c1O 1860085745 XIQBKTVIIKARPT-MHWRWJLKSA-N 449.937 4.637 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cscc1Br 1881483797 SSCNFEGWUWRCCE-KRWDZBQOSA-N 440.407 4.672 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NCc2cc(Br)cc(F)c2O)CC1 1966005263 ZACNQKCOQHOWNS-GASCZTMLSA-N 431.346 4.562 10 10 IJCE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1984694496 KPVFNELUAMVZJU-QZTJIDSGSA-N 447.539 4.853 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2079023161 OCZMSVBWUDABNU-MRXNPFEDSA-N 438.309 4.611 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3OC)SC2=S)cc1 2297242793 XPKDWAOEGWISRS-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE Cc1ccc(CNC(=O)CCCN(C(=O)OC(C)(C)C)C(C)C)c(O)c1Br 2381133124 KJKPOVBYFIYUOR-UHFFFAOYSA-N 443.382 4.505 10 10 IJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 14475728 FIWYGBZAJQNJPI-VEVIJQCQSA-N 434.233 4.732 10 10 IJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15045983 YICJNEDPSCAJHE-NJPLLEPOSA-N 432.954 4.582 10 10 IJCE COc1ccc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 33935217 OSPDRSJTQQXORS-UYRXBGFRSA-N 447.482 4.507 10 10 IJCE CCCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 40940716 QHYARMOBIMOHJB-XMHGGMMESA-N 426.563 4.720 10 10 IJCE CCOc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@H](c3ccccc3O)C2)cc1 53363487 MEVLCJFKESGBDB-ZCYQVOJMSA-N 430.504 4.800 10 10 IJCE CCN(CC)c1ccc([C@@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)cc1 54596795 ZBEUXWJYIWFBPP-DEOSSOPVSA-N 441.641 4.853 10 10 IJCE O=C(CCNC(=O)c1cccs1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 248069071 XIJOYLJLVXVEFX-XMMPIXPASA-N 430.529 4.633 10 10 IJCE Cc1cncc(/C=C\C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)c1 799506410 LBSPXLNAERKARL-DJWKRKHSSA-N 426.289 4.933 10 10 IJCE CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 1084590640 UXDVJFJBGZIOJS-KQWNVCNZSA-N 427.504 4.665 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(-n4cccc4)sc3-c3ccccc3)CC2)cc1 1860373476 KELWMABOMIJEHF-UHFFFAOYSA-N 444.560 4.572 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(Cl)ccn2)sc(C)c1-c1ccccc1 1860747535 NAIUNCLFPCBIFY-UHFFFAOYSA-N 443.912 4.526 10 10 IJCE CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679586 UVQDIMQBIZAQSE-CXUHLZMHSA-N 427.844 4.606 10 10 IJCE CC[C@H](C)[C@@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865984875 BEYTWYUFGPFFMS-HJPURHCSSA-N 443.503 4.711 10 10 IJCE CN1CCCc2cc([C@@H](O)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044733044 HGLGPZATGILYLI-UPVQGACJSA-N 440.584 4.603 10 10 IJCE Cc1cccc(O)c1Cn1nc(C2CCC2)c(C(F)(F)F)c1I 2079698182 IYKMMYNFHFKXOT-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE COc1ccc(CN2C(=O)C(=CC3=Cc4cccc(OC)c4O[C@@H]3C)SC2=S)cc1 2314450809 TWPBCXVHAUMWPN-CQSZACIVSA-N 439.558 4.813 10 10 IJCE Cc1ccc(CNCC2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352944310 GDZCUPCEYVJXTP-UHFFFAOYSA-N 427.383 4.636 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469107 ZWZDGFFOLZEJFV-AXHZCLLHSA-N 434.536 4.977 10 10 IJCE C[C@@H](Nc1ccc(Br)c(I)c1)c1ccc(O)cc1O 388673098 QEJPNJIMAFWMPN-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526217559 ZNPDQSJVSRNFHU-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE Cc1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc2c(=O)c1C 1615247659 OSDMRQVXNLHYQJ-WXAIXHMISA-N 434.580 4.510 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1OCC 1860086755 FOCGGIZASAHXGD-XNTDXEJSSA-N 436.536 4.860 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3cc(OC)cc(OC)c3)C2=O)cc1OC 1860087723 QCFMPKOSFQXFQH-DJKKODMXSA-N 431.535 4.517 10 10 IJCE COC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)C(=O)NC2CCCC2)sc(C)c1-c1ccccc1 1866230643 OIZKNWLCAOJFQI-HUUCEWRRSA-N 442.581 4.780 10 10 IJCE CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522644 RQWHFZYPQBNXHU-UHFFFAOYSA-N 449.557 4.878 10 10 IJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314769472 QXPISJFEJSFBSE-MRXNPFEDSA-N 448.363 4.565 10 10 IJCE CCCCOCCCN1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S 2323744069 UBALEYWWSIRZBK-UHFFFAOYSA-N 430.020 4.766 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(OC)c(O)c(OC)c1 2332144903 XTIBUUVNAPUMRC-UHFFFAOYSA-N 445.313 4.758 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cccc2Br)[C@@H]1C(F)(F)F 2344109716 IENBRLMROJXCDC-TZMCWYRMSA-N 438.288 4.774 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 16911887 NMDAAYUJKMFKGM-XDHOZWIPSA-N 443.546 4.571 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 33373471 BTJPLIIRESCDHK-LECIVKJOSA-N 431.496 4.858 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)C(O)=NC2=S)cc1 34701838 SRRSBDBYRDQEMR-ZHZULCJRSA-N 432.501 4.919 10 10 IJCE COc1cccc([C@H]2CN(Cc3ccccc3O)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 34740289 ZOVRWWPLUBEOTM-ILBGXUMGSA-N 438.612 4.757 10 10 IJCE COc1cccc(-c2c3c(nc4sc(C(=O)Oc5ccccc5)c(N)c24)CCN(C)C3)c1 40570203 UZEJUSWPZVBFFS-UHFFFAOYSA-N 445.544 4.761 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526247471 ZPTARWKEDSNWTQ-XMMPIXPASA-N 447.487 4.789 10 10 IJCE O=C(COc1ccc(Cl)c(Cl)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567066 DJVAWZBNIYDKMY-UHFFFAOYSA-N 445.293 4.759 10 10 IJCE CC(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1672137978 ZQDPBCIADJAQOR-QGZVFWFLSA-N 427.976 4.821 10 10 IJCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885266 BMFLCVOCUFLTRE-ZCFIWIBFSA-N 447.105 4.506 10 10 IJCE C[C@H](NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192611911 UNKRRSUCOPAJTJ-LBPRGKRZSA-N 435.318 4.993 10 10 IJCE COc1ccc(Br)c(CN[C@H]2CN(Cc3ccccc3)CC(C)(C)C2)c1O 2236048664 GBVMMJBADXUCLX-QGZVFWFLSA-N 433.390 4.554 10 10 IJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 2296755633 UVACUEQNLVXGHS-UHFFFAOYSA-N 442.509 4.997 10 10 IJCE CCc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314764962 QHPUFFGRPCRZOA-UHFFFAOYSA-N 447.379 4.558 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 2314933343 ARZHDGULUKQXIP-UHFFFAOYSA-N 443.546 4.653 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc(Br)c1O 2332110980 VNCSYDOOSVRTOP-UHFFFAOYSA-N 443.341 4.972 10 10 IJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S 2673004 ZHHGIRCRTFGDDU-AQTBWJFISA-N 442.518 4.815 10 10 IJCE COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 15009045 IZNLKSUSLZHQKA-JWGURIENSA-N 441.487 4.519 10 10 IJCE CCC(CC)c1nnc(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)s1 35655895 PXERURJHGCSOJG-UVTDQMKNSA-N 432.596 4.525 10 10 IJCE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1 71963985 OIZXZDZHAURHKO-CQSZACIVSA-N 425.381 4.630 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)c1cc(F)ccc1O 233468878 DEMCVJUBQMWXCN-HSZRJFAPSA-N 435.451 4.928 10 10 IJCE C[C@H](Nc1cc(I)ccc1Br)c1ccc(O)cc1O 311584884 VXGLJLILCTVLDO-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1 526609519 GKWLDZLGZPRNBD-XMMPIXPASA-N 445.471 4.756 10 10 IJCE CCOc1ccc(O)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687810850 RTQCWCRJCLYKQG-HSZRJFAPSA-N 447.487 4.845 10 10 IJCE C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1584962366 RRHCCAXULBPXMR-JQIJEIRASA-N 440.455 4.546 10 10 IJCE CC(C)NCc1ccc(N(C)Cc2nccn2Cc2ccccc2)c(Br)c1 1915040163 RKKWMFKIMGIPFL-UHFFFAOYSA-N 427.390 4.828 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(CO)c1I 2080005703 MOMRKQLFFJGPCR-OAHLLOKOSA-N 442.341 4.599 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc(Br)ccc1O 2094044648 ZVQXZZKLDQPVFB-DOTOQJQBSA-N 425.367 4.595 10 10 IJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 2313682371 BCRFXQXBVATUQW-UHFFFAOYSA-N 441.487 4.619 10 10 IJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(Cl)cc1Cl 2313683572 FLFCCOXYPXUDEB-UHFFFAOYSA-N 432.376 4.782 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)cc2O)cc1 2332096098 SGTZNZQOEVBFLS-UHFFFAOYSA-N 434.879 4.590 10 10 IJCE COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1 741136310 PRHXTMJAEPBZTD-UHFFFAOYSA-N 439.375 4.639 10 10 IJCE CC(=O)N1CCc2c(NCc3ccc(N4CCCCC4)c(Br)c3)cccc21 1461451682 AHJCAYONPSIJOO-UHFFFAOYSA-N 428.374 4.961 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1O 1860075084 HMGVVCQUJGVONQ-OVCLIPMQSA-N 436.898 4.677 10 10 IJCE COC(=O)c1c(NC(=O)c2nc3cccnc3n2C)sc(C)c1-c1ccc(C)c(C)c1 1866170900 REJZCOWTXSPARU-UHFFFAOYSA-N 434.521 4.661 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(N)c2I)C2(C)CC2)c(O)c1 2079013127 FTSSRUOIANEYDO-QGZVFWFLSA-N 437.325 4.741 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080022277 HYQZVHNAVTXEMP-GOSISDBHSA-N 449.345 4.803 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)cc1Br 2151099793 VQFSNDSOQQAQMP-UZUQRXQVSA-N 429.402 4.993 10 10 IJCE CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C(C)(C)C)C1=S 2297470901 XKTSWWPMQMYGKS-UHFFFAOYSA-N 430.614 4.755 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)O 2314930858 AAQVSQRUUNGELB-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2321586546 MMIMMJMHFDSMGD-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1O 2321664238 SZYHLPLTHBWUJD-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccco4)S3)[C@H](c3ccccc3O)C2)cc1 206362017 RNXFMHYAYRSJJF-BOURKTIISA-N 445.500 4.815 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526456665 PZIUPVSOXIOUHW-XMMPIXPASA-N 447.487 4.789 10 10 IJCE Oc1c(CNc2ccc(Br)c(I)c2)ccc(F)c1F 703215034 QZMANAKSLJSIQL-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 708156887 KDNSLLNHCVZQRL-KGLIPLIRSA-N 433.774 4.734 10 10 IJCE Cc1ccc(/C=C/C(=O)N(C)c2ccc(C)c(N(C)C(=O)/C=C/c3ccc(C)nc3)c2)cn1 754361574 IWWTUHLYZVJRLN-LCPPQYOVSA-N 440.547 4.754 10 10 IJCE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 791119414 GBEWFPPPCROEGD-UHFFFAOYSA-N 448.542 4.544 10 10 IJCE O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(Br)cc2nc(O)[nH]c12 1544026471 KBVGNLOKPIBXRH-UHFFFAOYSA-N 429.318 4.664 10 10 IJCE CCCCOCCCN1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S 1858587666 UBALEYWWSIRZBK-UKTHLTGXSA-N 430.020 4.766 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 1860086552 PYFZPUIZEKRLLB-VIZOYTHASA-N 436.898 4.677 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658337 FYGGLPNTWDKSGB-DEDYPNTBSA-N 434.879 4.897 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)cc1F 1891421113 SUIHMFYFSFBKOZ-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE CCN(CC)c1ccc([C@@H](N)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999538695 RNBAODAZHIROPZ-DHIUTWEWSA-N 427.589 4.643 10 10 IJCE Cc1nn(Cc2c(O)cccc2Br)c(I)c1C(C)(C)C 2079635921 WIWCYICUGKOGSS-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE CC[C@H]1CN(c2ccc(CNC3CC3)cc2Br)CCN1Cc1ccccc1 2152168840 LRKQESHRBQQVRW-NRFANRHFSA-N 428.418 4.802 10 10 IJCE CCCNCc1ccc(N(CCOCCOC)Cc2ccccc2)cc1Br 2152221819 BZWGVWLXDRWSSW-UHFFFAOYSA-N 435.406 4.618 10 10 IJCE NCc1cc(F)c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 2163331325 SHDAGSPGAGPRTI-UHFFFAOYSA-N 432.381 4.539 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@@H](C)COc1ccccc1 2297624725 HQRRYVRPFWBUDR-HNNXBMFYSA-N 429.563 4.668 10 10 IJCE COc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 2314836240 BTWDEZZESCTQIL-LBPRGKRZSA-N 432.954 4.577 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 2321743490 SDPFUOZYXAYPJX-UHFFFAOYSA-N 433.898 4.612 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 2323886780 SUACDNFFLSYZDE-IBGZPJMESA-N 439.562 4.633 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(C)cc4C)c3)C(=O)N=C2S1 27549522 AVZUCKPMSQGREK-NLEVOZIKSA-N 448.548 4.790 10 10 IJCE Cc1cccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 33562646 SMDUWHXVGZGBMD-MRCUWXFGSA-N 449.601 4.561 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1nc2ccccc2s1 35640794 BJCOJVZJUNBECC-PTNGSMBKSA-N 429.548 4.509 10 10 IJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 40940030 ALJFMVDHRZLLCV-GZTJUZNOSA-N 432.954 4.673 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 59396995 TVGGTXWLYVXASO-MOSHPQCFSA-N 428.579 4.956 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1Br 396588768 WWVOPOMLVVPMEP-IBGZPJMESA-N 430.434 4.905 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3c(O)cccc3Br)[C@H]1CC2 1966050890 LRJIJGDBDPLZBR-IAOVAPTHSA-N 425.367 4.565 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cccc(Br)c3O)CCC[C@H]12 2098311849 MNOPHRFNHMFSIN-OXJNMPFZSA-N 425.367 4.567 10 10 IJCE CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 2294208518 QRRUQWCNLYEORX-UHFFFAOYSA-N 436.920 4.723 10 10 IJCE CCOc1cc(Br)cc(C=C2SC(=S)N(c3ccccc3)C2=O)c1O 2297322331 BVTABLAYQHEZDJ-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1OC 2313609950 OZCMVUHBIQKXLE-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl 2313682931 NYVFFDRWQXAFKR-UHFFFAOYSA-N 448.306 4.654 10 10 IJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)cc1 2321569821 LBWWRNGDMSPXJM-UHFFFAOYSA-N 443.575 4.595 10 10 IJCE CCCCOCCCN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323744482 HJMLRORYXBJQND-UHFFFAOYSA-N 432.380 4.996 10 10 IJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2332115069 PFHBDUNVCYSDBQ-UHFFFAOYSA-N 428.916 4.948 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(O)c1Br 2352944785 MMGRJRMFBCWXSA-HNNXBMFYSA-N 427.383 4.588 10 10 IJCE COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1 2241964 DXFVHKVEMKRQJT-SFQUDFHCSA-N 440.322 4.749 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470838 VHSMKPIQVKBGQU-XFQAVAEZSA-N 447.944 4.761 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)N=C2S1 102470628 FZVCWFDZNNPFOI-DHTRNYPVSA-N 426.505 4.568 10 10 IJCE COc1ccc(O)c([C@H](C)Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)c1 728909449 NKYKWSBIVRWKGD-NSHDSACASA-N 430.295 4.985 10 10 IJCE C[C@@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O 756552455 FRAVOGCEKNAYKF-CHWSQXEVSA-N 431.346 4.592 10 10 IJCE Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cccc1N(C)C 775988286 KXTJJWBVCKPPOX-QGOAFFKASA-N 445.635 4.743 10 10 IJCE CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1860087365 SDPFUOZYXAYPJX-CXUHLZMHSA-N 433.898 4.612 10 10 IJCE COC(=O)c1c(NC(=O)CCNC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)cc1 1865941430 LVTUGKPYSTZPMC-UHFFFAOYSA-N 432.542 4.672 10 10 IJCE COCCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420733 UISPAHZGWCKSKI-UHFFFAOYSA-N 443.547 4.631 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C)c(C=O)c2I)C(C)(C)C)cc1C 2079946028 PJSUXBAOBZHTQK-INIZCTEOSA-N 426.298 4.567 10 10 IJCE CC[C@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271311458 KLULFBJSINEXEC-XOKHGSTOSA-N 427.383 4.983 10 10 IJCE N=C1C(=Cc2ccccc2OCCCOc2ccccc2Cl)C(=O)N=C2SC=CN12 2297357112 GBIICZHVXJWNJN-UHFFFAOYSA-N 439.924 4.965 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2314926381 HZFNVZJDPKTHRY-UHFFFAOYSA-N 435.567 4.822 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2323831885 NOYULRCSOGHZDD-UHFFFAOYSA-N 427.433 4.772 10 10 IJCE Cc1ccc(CNC[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c(O)c1Br 2380812578 XCCCJXNVMSLDFQ-NFBKMPQASA-N 429.402 4.855 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(F)c1 2975864 UHDTYORPAYNKAB-DEDYPNTBSA-N 447.553 4.651 10 10 IJCE CN1/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)Sc2ccc([N+](=O)[O-])cc21 16675553 LHMOTYVFTBWSRQ-CQRYCMKKSA-N 427.532 4.927 10 10 IJCE COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 20070634 UGYATWFQJGRTEH-KBMIEXCESA-N 432.476 4.660 10 10 IJCE CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 40940001 USWPAHBAXXKIFB-BOPFTXTBSA-N 432.954 4.673 10 10 IJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NC5CCCCC5)cc34)CC2)cc1 65002069 YWOUBACPXOIUAO-UHFFFAOYSA-N 444.579 4.633 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)c1 526164417 KUNUOUDWZFKAHX-DEOSSOPVSA-N 440.455 4.712 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705626148 XEUNPIHBVXGWQA-OYRHEFFESA-N 428.418 4.517 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C 1477047734 IVJGFGRYZMSOCH-KRWDZBQOSA-N 431.483 4.898 10 10 IJCE CCCN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1942390886 MUMARGXCYWGTIQ-SXSPYAJSSA-N 428.573 4.932 10 10 IJCE CCNCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1Br 2182308492 ADWUAPFATJBMTC-VXKWHMMOSA-N 428.418 4.802 10 10 IJCE O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)SC1=Cc1cccc([N+](=O)[O-])c1 2296758970 KIOLNMLJXMPYLK-UHFFFAOYSA-N 444.516 4.541 10 10 IJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 2296945808 HLBBOBGVULQHIS-UHFFFAOYSA-N 439.968 4.552 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccccc2)SC1=S 2314837421 SBENRAHFQPQPLM-LBPRGKRZSA-N 436.480 4.934 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)O 2314933392 AZTPGAIUXIEBFT-CQSZACIVSA-N 443.546 4.651 10 10 IJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2cccnc2)cc1 2332128608 LGRZLTSHXUCURP-UHFFFAOYSA-N 434.293 4.687 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2356973876 GQHMDDCKHSFSBF-WCAVRKLYSA-N 428.418 4.830 10 10 IJCE CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(OC)cc3)cc2)SC1=S 2882629 JKUCHGWCWSWRRJ-HKWRFOASSA-N 429.563 4.764 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 16911934 LSNZDCWXYUBCCX-LICLKQGHSA-N 449.937 4.608 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1OC 16936226 URBKFNLFUKEXQG-UYRXBGFRSA-N 426.494 4.655 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(Br)cc2O)CC12CCCC2 2098979853 OOPGEHDWSISHDZ-INIZCTEOSA-N 425.367 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1cc(Br)ccc1O 2127868732 JEHRMUXOAQBBKB-QGZVFWFLSA-N 427.383 4.670 10 10 IJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)c1 2293456927 GHTZCVUOHVVIIZ-UHFFFAOYSA-N 449.510 4.660 10 10 IJCE Cc1ccc(C)c(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2)c1 2297313929 ZQQYZGQBBFAKOM-UHFFFAOYSA-N 433.533 4.928 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 2323886586 IQCXLZPLJNZCJF-MRXNPFEDSA-N 445.591 4.695 10 10 IJCE Cc1ccccc1OCCOc1ccccc1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O 33644973 KLEIGQLMPACNRU-NLPPSYTOSA-N 448.548 4.728 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC 39869970 OBVAYKUUMUFBGZ-STZFKDTASA-N 439.537 4.915 10 10 IJCE CCS[C@H](C)c1noc(CN(C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 766852937 CMLIMBVOGQYLPZ-GOSISDBHSA-N 441.601 4.675 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@H](NCc3cc(Br)ccc3O)C2)CC1 1254734826 XPJMPIGPQNDSBG-KRWDZBQOSA-N 439.394 4.814 10 10 IJCE O=C1/C(=C\c2cccc(Br)c2)C(C(F)(F)F)=NN1Cc1ccccc1F 1865656840 VCAAMQJJRBTXCM-ZROIWOOFSA-N 427.195 4.932 10 10 IJCE CCCN1N=C(c2ccccc2)/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O 1865667260 NFASURDRXFWRFT-WJDWOHSUSA-N 429.314 4.593 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cc(Br)ccc2O)cc1 1865671740 AUVYTPCSOYMCBV-XSFVSMFZSA-N 449.304 4.998 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1 1865680409 JVCKLPDNEVVNQU-KGENOOAVSA-N 431.423 4.573 10 10 IJCE COC(=O)c1cccc(COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871285452 FVFGPHATXAXPSL-UDWIEESQSA-N 441.574 4.909 10 10 IJCE CCN(CC)c1ccc([C@@H](N)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764924 SKJZDNXFRQZJDO-DNQXCXABSA-N 440.632 4.558 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl 2079856721 USTZMNZJXVKMMZ-HNNXBMFYSA-N 432.826 4.836 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F)c1cc(Br)ccc1O 2279119975 SAXDLPWVIOHWGH-GDBMZVCRSA-N 449.336 4.840 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3cccc4cccnc34)SC2=S)cc1OC 2296594519 QACIEFFNKRAIEG-UHFFFAOYSA-N 436.558 4.696 10 10 IJCE CCOc1cc(Br)c(C=C2C(=O)N(c3cccc(C)c3)N=C2C)cc1OC 2296909406 NEUYHKKFDLISDR-UHFFFAOYSA-N 429.314 4.971 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2nccs2)C1=O 2297350192 LADVBHYUTGYQCV-UHFFFAOYSA-N 429.592 4.710 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314836211 BMMUCTNDIJPWGX-MRXNPFEDSA-N 438.574 4.870 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1)C(=O)O 2314930129 XWZPQPYUZTVMQI-RDTXWAMCSA-N 427.547 4.891 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)ccc1O 96576989 CBMBXYIFJSKTNR-XDHOZWIPSA-N 449.304 4.998 10 10 IJCE C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccc(N2CCOCC2)cc1 109180459 BVTRPKFWTPDDBV-GOSISDBHSA-N 427.504 4.822 10 10 IJCE CC(=O)Nc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526511892 NYSMKVWIICEKMO-HSZRJFAPSA-N 448.450 4.561 10 10 IJCE CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708076532 MZYXEJXTYCEOHR-CQSZACIVSA-N 435.790 4.981 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(OC)c1 1860084945 AMTWIQCRQVFVSO-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 1865963975 DMJTXCGJFPNGES-UHFFFAOYSA-N 425.506 4.845 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1912006555 DPCIGMYWTVFCOA-KRWDZBQOSA-N 429.358 4.505 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 1984694951 NWCBTADOETWSMA-GAJHUEQPSA-N 447.539 4.851 10 10 IJCE O=C(O)c1cccc(N2C(=O)C(=Cc3ccccc3OCc3ccccn3)SC2=S)c1 2040709351 YBGIJKYJJBKJBO-UHFFFAOYSA-N 448.525 4.765 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2293139919 LRNASMMNPIBKLP-IBGZPJMESA-N 443.546 4.511 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 2296944675 FOWFAOLDYUFQRM-UHFFFAOYSA-N 425.419 4.640 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@@H](N(C)C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352932010 GVLCKAKGGXKJBR-IYBDPMFKSA-N 427.383 4.731 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1OC 14479348 NFDBSVQXVILCGU-PNCHPQGNSA-N 442.581 4.607 10 10 IJCE CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)S1 34828420 SSBFRCIXLMWLNY-MFOYZWKCSA-N 435.332 4.987 10 10 IJCE O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C\c1ccc(O)cc1 54201422 JOANWMXDGOEMMJ-KUOTXRDYSA-N 441.512 4.919 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)NCc2ccccc2)C1=O 210733393 WSIWZORTGJLTJK-TXWVUNSISA-N 436.602 4.931 10 10 IJCE CC[C@H](N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 382446892 KANXFJPUGKPXDT-UNEWFSDZSA-N 427.383 4.889 10 10 IJCE Cc1cc(CCNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(C)n1-c1ccccc1 746424118 DVDMNOCKHQNZLN-QHCPKHFHSA-N 444.579 4.697 10 10 IJCE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)c1 778913944 HIXQWYKDJQPFSL-AVRWGWEMSA-N 449.547 4.917 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677533 OFFKPEPFUMZYAS-HYARGMPZSA-N 446.478 4.682 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc3cc(Cl)ccc3n2)N2CCCCC2)cc1 1866052601 VKSQLIBCSUECSU-DEOSSOPVSA-N 436.987 4.911 10 10 IJCE Cc1cccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952773905 BJLWTSJNZWBIQZ-NVQXNPDNSA-N 429.472 4.539 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260785 GSRIGMRQRMXRMC-WCAVRKLYSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3c(O)cccc3Br)CCC[C@H]12 2165301279 IGPQKWDGZVHVFV-RXVVDRJESA-N 439.394 4.814 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 2297297045 QFNXEGZBWNETIS-UHFFFAOYSA-N 426.428 4.853 10 10 IJCE CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 2297468007 AVQUSYIYVBKDEY-UHFFFAOYSA-N 435.553 4.912 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCc1ccccc1 2314836947 MEVXWHSIJIHWLI-UHFFFAOYSA-N 442.581 4.904 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Br 2352953139 SRSWTWDZFFPQGF-JGGQBBKZSA-N 427.383 4.587 10 10 IJCE Cc1ccc(CNC2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1Br 2380812671 XZSGGKAUFWFCRD-ALOPSCKCSA-N 439.394 4.873 10 10 IJCE CCc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)c1 33283211 VFNBSPXSTFYQNO-UHFFFAOYSA-N 444.984 4.928 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/C(=O)O)cc1Br 383326348 LWGXUULREVZOFD-RQMBKDMJSA-N 429.358 4.505 10 10 IJCE CC[C@]1(CNCc2ccc(Br)cc2O)CCCCN1C(=O)OC(C)(C)C 691390515 FTLCQNWDNPJGIH-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 785567593 ZGSQUJWFGWMFMZ-QZTJIDSGSA-N 438.547 4.652 10 10 IJCE CN(C)c1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC2(c3ccccc3)CC2)cc1 1083575047 XRBVCEPLUMHEIJ-RPBOFIJWSA-N 440.543 4.850 10 10 IJCE CC(=O)c1cc(F)cc(CN(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1O 1645857188 LZYPBASZTWMYKP-RUZDIDTESA-N 447.554 4.796 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)cc2)sc(C)c1-c1ccc(F)cc1 1860746908 JVYWZSYXDLWDNC-UHFFFAOYSA-N 440.496 4.925 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2cc(C)ccc2C)N=C1C(F)(F)F 1865678634 VZFIBQPQCFJJNC-MFOYZWKCSA-N 448.441 4.673 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)N2CCCCC2)cc1 1866055590 YIGJORWATYOJAX-AKFKNWHVSA-N 426.004 4.853 10 10 IJCE Cc1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cccc(Cl)c2n1 1866273974 FDHHWEQAHBTFFT-OAQYLSRUSA-N 433.943 4.516 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1F 1951662631 HRGGQAHAGQPFHP-NRFANRHFSA-N 435.451 4.976 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(CO)c2I)cc1C 2079959757 YKWXBEXFFXYVLT-SFHVURJKSA-N 442.341 4.671 10 10 IJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1 2080025664 RSNXLKKCRZSCFL-QGZVFWFLSA-N 435.318 4.715 10 10 IJCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2093493666 RZWNOSBILAFSDV-WBMJQRKESA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1(C)C 2127899417 RRNDIEHWKACLBO-WFASDCNBSA-N 447.801 4.837 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2cc(Br)cc(F)c2O)CC1 2133494127 HERPYIHJEMHUTL-LSDHHAIUSA-N 431.346 4.609 10 10 IJCE Cc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)c(C)c1 2293662228 SIKQZLGLUFCEFM-UHFFFAOYSA-N 445.363 4.794 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127376 QZUOUSYYZTVIPZ-UHFFFAOYSA-N 446.890 4.954 10 10 IJCE COc1cccc(Nc2cc(N3CCC(=O)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2494272 ABNOAQRICWNBRJ-UHFFFAOYSA-N 439.471 4.961 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3N=C([C@@H](CC)c4ccccc4)SC3=NC2=O)ccc1O 101416688 JBPXUODMBAZFAP-ZIHWKZSRSA-N 434.521 4.604 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1 226852028 AVKQGULGRDREQM-MVERNJQCSA-N 446.572 4.687 10 10 IJCE CC(C)N(C(=O)c1ccc(Br)o1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859891858 PQONVTPVFSXMQH-UHFFFAOYSA-N 438.277 4.873 10 10 IJCE CC[C@@H](C)[C@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865984882 BEYTWYUFGPFFMS-WAIKUNEKSA-N 443.503 4.711 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(OC)cc3[nH]2)sc(C)c1-c1ccccc1 1866494128 BQDXSXDINDTJLQ-UHFFFAOYSA-N 448.500 4.613 10 10 IJCE CCNCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2168789354 LIFVJDBGQCDTOT-LEWJYISDSA-N 428.418 4.517 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 2293963674 YJBKORUNAYZNEE-UHFFFAOYSA-N 440.912 4.602 10 10 IJCE CCN1C(=O)C(=Cc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 2313532992 FRDPEMMNEWSXGB-UHFFFAOYSA-N 431.451 4.516 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 2313683157 SSMMIGAQNAHKOC-UHFFFAOYSA-N 441.531 4.561 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1OCC 2321733842 HQYFYWHRCWRCIV-UHFFFAOYSA-N 431.535 4.604 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(NC(=O)c3ccc(Br)o3)cc2)SC1=S 6178539 URUDPOAXFWABDC-UKTHLTGXSA-N 437.340 4.516 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15045387 LVNQFISOPWMSLW-IEMQHYRPSA-N 447.379 4.678 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1 54620924 JSHDMWNCCCERBJ-QFIPXVFZSA-N 442.471 4.715 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)c(I)c1)CCC[C@H]2O 311575858 SBUJBWUEIFWWQE-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(Br)c1 396565457 MCUDMJFIAQYHHC-LJQANCHMSA-N 430.434 4.905 10 10 IJCE Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754547958 WGLUYOHHZNHWQH-UHFFFAOYSA-N 426.403 4.817 10 10 IJCE Brc1cccc(C[C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)c1 1653956398 JIFSKOQQJKOHJS-QHCPKHFHSA-N 429.402 4.883 10 10 IJCE Brc1cc(CN2CCN(Cc3ccsc3)CC2)ccc1N1CCCCC1 1657561793 WRCRCNJVIABELK-UHFFFAOYSA-N 434.447 4.819 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)ccc1O 1860085744 XGDAUJQBEWZCES-RQZCQDPDSA-N 449.937 4.637 10 10 IJCE Nc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1866060536 QXWLYBVNYUTIEK-HXUWFJFHSA-N 443.425 4.810 10 10 IJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)Cc3ccccc32)n1 1869126212 LNJLVUHYQYVCFZ-HXUWFJFHSA-N 443.595 4.705 10 10 IJCE CCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162233 LNLBDWGQERONNK-UHFFFAOYSA-N 441.575 4.806 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(I)cc1 2039190628 OZZLBMZYWILDDJ-UHFFFAOYSA-N 431.277 4.627 10 10 IJCE CN(C)c1ccc([C@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044751338 ZSOQXACBDUZSNB-JYFHCDHNSA-N 439.600 4.596 10 10 IJCE CC(C)(C)OC(=O)N1CC(CCCNCc2cc(Cl)cc(Br)c2O)C1 2051580939 OIWLQMDNSBHDRL-UHFFFAOYSA-N 433.774 4.545 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(Br)c1 2186719391 DIQAFUGQVGITJM-AUUYWEPGSA-N 442.323 4.722 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O 2293034609 FJBMISFCELXADP-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c(OC)c1 2296883252 PNNNPIVTVSDNNA-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE Cc1ccccc1NC(=O)CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314842391 TYOPFGNGPFHYMH-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE CCCCc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)SC2=S)cc1 2314929119 HLISDOZJNUSHII-UHFFFAOYSA-N 427.547 4.898 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)CC1 2323858441 XCGLOBTXHKPABJ-UHFFFAOYSA-N 444.500 4.528 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 15039404 FTURYSUDFZOYQL-AQTBWJFISA-N 446.981 4.969 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(N4CCCc5ccccc54)s3)CC2)cc1 20985865 OCGHCKUUUFGOCZ-UHFFFAOYSA-N 433.577 4.803 10 10 IJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 33398839 RBOAQQXBDLTPHZ-WNLSXJKCSA-N 438.357 4.891 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)N=C2O)cc1 33669348 ADYKHXTYDMSGOQ-QNGOZBTKSA-N 430.508 4.559 10 10 IJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OCC 40937781 VGUFPTMSMOILAC-JXAWBTAJSA-N 437.583 4.720 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 206469770 BEOXGGSAJDRWSF-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE CCCNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c(Br)c1 323646750 TVOXMQYFDFTPPN-LJQANCHMSA-N 430.434 4.907 10 10 IJCE CC1(C)CN(c2ccc(CNC3CC3)cc2Br)CCN1Cc1ccccc1 382756152 ODFLMAKOWDVPHL-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE CCN(CC)c1ccc(CNC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1F 731364150 GLUCYRBGRWFAQP-UHFFFAOYSA-N 436.531 4.645 10 10 IJCE O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1)C1CCCC1 779620886 WTHAGKQGOKFHGR-JOCHJYFZSA-N 435.616 4.908 10 10 IJCE Cc1cccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860345245 WQGJDBZYONKNSJ-UHFFFAOYSA-N 448.526 4.912 10 10 IJCE COC(=O)c1c(NC(=O)/C=C/c2cnc(OC)nc2)sc(C)c1-c1ccc(C)c(C)c1 1866150343 RBCKUJABXKXEBH-VQHVLOKHSA-N 437.521 4.577 10 10 IJCE CC1(c2c(C3CC3)nn(Cc3cc(Cl)ccc3O)c2I)CC1 2079736144 PVRRMWASEPKQST-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260779 GSRIGMRQRMXRMC-FHJLPGHOSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Br)cc(F)c3O)CCC[C@@H]12 2154573326 IVPRZLLRHOSMKC-OXQOHEQNSA-N 443.357 4.706 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc4c(cc3Br)OCO4)SC2=S)c1 2297303298 DAAJTUWYHZYVCP-UHFFFAOYSA-N 434.336 4.892 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1ccc(C)cc1C 2297347193 HWUKDIXTAQXVEA-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@H]32)cc1 14461657 SOSOCRGBIRWYLQ-YZUZCNPQSA-N 425.598 4.610 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1 14480647 RJDMCEDGSYFWKP-MZKRTTBSSA-N 426.582 4.989 10 10 IJCE C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 248245309 JIGWXFRYCIZDCD-HJPURHCSSA-N 430.529 4.631 10 10 IJCE CC[C@H](NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311993591 QJBOZRYLJIPZLE-UNEWFSDZSA-N 427.383 4.889 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 705626152 XEUNPIHBVXGWQA-SFTDATJTSA-N 428.418 4.517 10 10 IJCE CCOc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 1858593967 FXULVTXFQPMPFZ-LQOIVRHRSA-N 442.606 4.598 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(C)c(C)c1 1860761555 YHUWHDJBIJMVFA-RDTXWAMCSA-N 442.581 4.760 10 10 IJCE C[C@@H]1CCN(c2ccc(C=CC(=O)O)cc2Br)CCN1Cc1ccccc1 1912064391 RGCBJBILMTXGRY-QGZVFWFLSA-N 429.358 4.648 10 10 IJCE CN[C@H](C)c1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1Br 2234703243 QPAPJWBUDYQITC-UIFIKXQLSA-N 428.418 4.973 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S 2313560055 HUENSNQAZQAQBW-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3ccccn3c2=O)SC1=S 2314414730 KFYBXIWLSAESAF-OAHLLOKOSA-N 444.626 4.544 10 10 IJCE COc1ccc2ccc(OC)c(/C=C3\C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)c2c1 33316873 AYBHIURUOCQREW-BKUYFWCQSA-N 430.460 4.981 10 10 IJCE C/C(=C\c1ccccc1)CN(C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1642708724 WZOSAMVREPTWDL-YMIFCHIISA-N 438.527 4.824 10 10 IJCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cc4c(nc3O)CC(C)(C)CC4=O)c2C)c1 1643365737 BVCGYASIOBXPAQ-UHFFFAOYSA-N 431.536 4.588 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1645680214 DGMMDRWRWPDBCO-IRXDYDNUSA-N 436.980 4.717 10 10 IJCE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 1659811380 WYEJAWNAKHPJLC-UHFFFAOYSA-N 434.989 4.790 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 1865679909 MNQBAUVASSGXLT-GDNBJRDFSA-N 425.204 4.806 10 10 IJCE COCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419785 AFMDWVGOUMAXBD-UHFFFAOYSA-N 443.547 4.549 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2136550211 SAXZGZPTGFJIIQ-LAUBAEHRSA-N 435.793 4.810 10 10 IJCE CCCOC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314759923 HEXYFBMDUFTKAZ-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc(OC)c1OC 2323865106 HGNIUTIOYJBKMR-UHFFFAOYSA-N 435.954 4.767 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cc1OCC 2332106933 WPOWEWAOBZRQJD-UHFFFAOYSA-N 443.503 4.722 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 526479784 HBLFDSAERYSPMV-QHCPKHFHSA-N 446.478 4.736 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 700879709 AFIXRWMWSGIQJZ-BNEJOLLZSA-N 439.394 4.983 10 10 IJCE Oc1c(CNc2cc(Br)ccc2I)ccc(F)c1F 703214999 QDMQKYXCVINWKC-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 735649402 GNRKIXZSUCLACM-UHFFFAOYSA-N 444.984 4.514 10 10 IJCE CC(=O)N1CCN(Cc2cccc(NCc3ccc(N(C)Cc4cccs4)cc3)c2)CC1 1202031424 JLNVFLISLCKJFX-UHFFFAOYSA-N 448.636 4.661 10 10 IJCE COc1ccc(/C(=C\c2cccs2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1858086460 JUBQHXPRDPWRPZ-HKOYGPOVSA-N 434.561 4.655 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4ccn(Cc5ccccc5)c4c3)CC2)cc1 1860236838 PAAVWBBIXFEOPX-UHFFFAOYSA-N 425.532 4.661 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1860824899 BHNHQDOEDVINIM-CPNJWEJPSA-N 426.563 4.632 10 10 IJCE COc1cc(Cl)cc(CNCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1O 1936392144 HNDUSAJLQAXQNP-UHFFFAOYSA-N 436.936 4.513 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2NCc2cc(Br)cc(F)c2O)CC1 2189317118 BGSRABRZMDWSTI-INIZCTEOSA-N 443.357 4.563 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC 2321613574 LXLQGABAVIOVNB-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Br)cc1 2321664197 XGCSITZBGHNQMA-UHFFFAOYSA-N 434.336 4.626 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cc2ccncc2)cc1 2321710491 ABBSADSOHDQQRJ-UHFFFAOYSA-N 446.553 4.849 10 10 IJCE Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331595045 GIAWNWYQJLOTMV-UHFFFAOYSA-N 440.590 4.870 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380811172 YVWITLNQCSNGKJ-KKSFZXQISA-N 439.394 4.732 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470909 SLBQDACXIZQEOH-QYWGDWMGSA-N 447.944 4.763 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC[C@H](C)C1 1705547460 SJFAQSAQCWZSTN-UNMCSNQZSA-N 444.627 4.542 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859916735 CNVMMTWVEMFABH-INIZCTEOSA-N 443.499 4.925 10 10 IJCE COC(=O)c1c(NC(=O)c2cccc(C(=O)O)c2O)sc(C)c1-c1ccc(C)c(C)c1 1866223742 KRQSVXAUZNFFND-UHFFFAOYSA-N 439.489 4.783 10 10 IJCE CCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870943337 KGOGFCNNINAOJG-UHFFFAOYSA-N 448.567 4.517 10 10 IJCE CCCNC(=O)COc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871131388 SHGUQOKPPASLPM-UHFFFAOYSA-N 448.567 4.519 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079024076 ZHDQOBMETUEYKO-KRWDZBQOSA-N 433.346 4.887 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Br 2079046867 FPSFDPPJXYMVNO-AWEZNQCLSA-N 429.261 4.773 10 10 IJCE CCCNCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(Br)c1 2187750537 MQLKEEHDCPWNHE-SFTDATJTSA-N 428.418 4.659 10 10 IJCE O=C(O)c1cccc(N2C(=O)C(=CC(Cl)=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 2293175969 OUIDDFGOSDTAMC-UHFFFAOYSA-N 446.893 4.822 10 10 IJCE CCc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2294498872 OPLKEJDBYORAQM-UHFFFAOYSA-N 445.363 4.740 10 10 IJCE CCOc1ccc(C2=CC(=Cc3cc(Br)c(OC)cc3OC)C(=O)O2)cc1 2297329466 PXJJLXIFIODEOT-UHFFFAOYSA-N 431.282 4.846 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)S1 2297624370 KZPLFBCJWDFCHP-UHFFFAOYSA-N 439.295 4.818 10 10 IJCE CCCCCCN1C(=O)C(=Cc2c(NCCC)nc3ccc(C)cn3c2=O)SC1=S 2314415043 VNHIHJLKYLELBI-UHFFFAOYSA-N 444.626 4.606 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=S)Nc1ccccc1F 2314488711 YCELKENREVOQGS-UHFFFAOYSA-N 438.505 4.926 10 10 IJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c(C)c3)o2)SC1=S 2314650699 WZUOXKUNLQVXQK-INIZCTEOSA-N 447.603 4.971 10 10 IJCE COc1cc(OC)cc(N2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)c1 2321741881 UKVSIFKWSYVXPM-UHFFFAOYSA-N 426.519 4.600 10 10 IJCE Cc1ccc(CN2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(O)c1Br 2380782890 UFALEXWJOWNBLT-GOTSBHOMSA-N 429.402 4.807 10 10 IJCE Cc1cccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C 32964294 RHRQEOXBPNIOAW-OAHXEOETSA-N 443.507 4.901 10 10 IJCE CCc1cccc2c(/C=C3\C(=O)N(C)c4ccccc43)cn(CC(=O)NC3CCCC3)c12 33534819 IDQPULZIPHGQPW-HAHDFKILSA-N 427.548 4.780 10 10 IJCE CN(c1ccc(CNC2CC2)cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 388400608 MGBRZNKEECODGX-NRFANRHFSA-N 428.418 4.802 10 10 IJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526405005 YDWNFZKYUKYKGC-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 727251283 YFRDOBIDDUBRAE-UHFFFAOYSA-N 443.319 4.521 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)c1 745876296 YCUIRCCTGDINGD-UHFFFAOYSA-N 445.563 4.540 10 10 IJCE C[C@@H](NC(=O)c1c(Br)cccc1Br)c1ccc(N(C)C)cc1 798501465 JQZJNAQALFIRDO-LLVKDONJSA-N 426.152 4.769 10 10 IJCE CN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@H]12 1565519651 GKWHEQYDALZUCA-OPAMFIHVSA-N 445.003 4.727 10 10 IJCE COc1cc(N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1OC 1858043900 AMNWSGAGDBHEEM-UHFFFAOYSA-N 446.547 4.778 10 10 IJCE CCCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860760957 JHFSLPXHFKDYKM-UHFFFAOYSA-N 430.570 4.762 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccccc2[N+](=O)[O-])cc1 1865677890 ISTVKBCGLOTXQI-KGENOOAVSA-N 431.423 4.573 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CC(C)C)C2=O)cc1 1873170358 WPMYZCNSQZQTQL-MBSDFSHPSA-N 433.596 4.998 10 10 IJCE COCCCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 1946809753 GKEUVWSMRXPWPI-UHFFFAOYSA-N 425.573 4.605 10 10 IJCE CC(C)c1nn(Cc2cc(Cl)ccc2O)c(I)c1C(F)F 2079721451 KKDCQEANBFDGSK-UHFFFAOYSA-N 426.632 4.956 10 10 IJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)c(O)c1 2079847054 MYKXLVIYCRNVMR-QGZVFWFLSA-N 425.367 4.785 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cccc(Br)c3O)CCCCC[C@@H]12 2153951227 WIBKNGRESPCRTA-UTKZUKDTSA-N 439.394 4.957 10 10 IJCE COc1ccc(Br)c(CNc2cc(C)cc(I)c2)c1O 2236051680 WMTDVCROYVIYOA-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2314741380 YJNCKJUPRZFALO-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE Cc1cccc(NC(=O)CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2314842177 DLHSAKADQXLKKH-UHFFFAOYSA-N 447.379 4.597 10 10 IJCE CCc1ccc(N2C(=O)C(=Cc3ccccc3O[C@H](CC)C(=O)O)SC2=S)cc1 2314934353 ZCRYZTUXERMEGR-QGZVFWFLSA-N 427.547 4.897 10 10 IJCE CCCN1N=C(c2ccccc2)C(=Cc2cc(Br)c(O)c(OCC)c2)C1=O 2332110894 NFASURDRXFWRFT-UHFFFAOYSA-N 429.314 4.593 10 10 IJCE CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 35227728 RQXFLACBMNMLBN-QGOAFFKASA-N 431.414 4.580 10 10 IJCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100148920 CGHOWXZPGKBUGQ-XQNSMLJCSA-N 446.532 4.514 10 10 IJCE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 586203310 NMWYKUMOZPGXJZ-UHFFFAOYSA-N 437.492 4.597 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNCc1cc(Br)cc(F)c1O 715827582 NGEGDZHMJSSZST-LJQANCHMSA-N 431.346 4.563 10 10 IJCE COc1ccc(-c2cc3nc(CN[C@@H](C)c4ccc(N(C)C)cc4)[nH]c(=O)c3s2)cc1 774479929 WLFMEPWYUHFLKS-HNNXBMFYSA-N 434.565 4.577 10 10 IJCE CN(C)c1ccc([C@H](CN)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 829340881 OEWARLKIISWACG-IBGZPJMESA-N 434.378 4.957 10 10 IJCE CCOC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)o1 1871287688 UOXVAPLPHKHIAM-YBFXNURJSA-N 445.562 4.893 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873164634 KJYZRGMOQHIMMQ-UHFFFAOYSA-N 427.548 4.682 10 10 IJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C1CCC1 2079663955 ZPZKUYXENDLAGE-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S 2321637617 YRUBNJZKQRYRQT-UHFFFAOYSA-N 433.938 4.834 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1 2321683198 WPMNJQDTNHVPIC-UHFFFAOYSA-N 425.579 4.897 10 10 IJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2323866108 QIHWOYFVVCSZAT-CQSZACIVSA-N 438.357 4.891 10 10 IJCE O=C1C(=Cc2cc(Br)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1 2332124693 GFUMWAZLMCXUSY-UHFFFAOYSA-N 433.305 4.985 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c(O)c1Br 2352687776 QVUFRXJTHLZBLY-SQWLQELKSA-N 427.383 4.587 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 13637308 XTSWQQWGLPKRBG-RQTOMXEWSA-N 432.545 4.697 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N2O1 20236431 LWKYNGHPVNJQAC-POLMPROESA-N 431.492 4.602 10 10 IJCE COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c1C 33447250 VVOGXNSLSIHSDR-ZHZULCJRSA-N 429.476 4.605 10 10 IJCE CN(C1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1)c1ccccc1C(=O)O 39870018 YJRVTSDLVIRCQS-XDHOZWIPSA-N 449.444 4.660 10 10 IJCE Cc1ccc(COc2ccccc2/C=C2/SC(Nc3ccccc3C(N)=O)=NC2=O)cc1 208334480 WLVDYFWSWLZYEG-HYARGMPZSA-N 443.528 4.755 10 10 IJCE C[C@@](Nc1cccc(Br)c1)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094035 NNOMUYBROZDTIA-QFIPXVFZSA-N 425.326 4.841 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)ccc(F)c1O 687756024 KCQLZOUCTWMIGN-HXUWFJFHSA-N 439.414 4.725 10 10 IJCE CC(C)CNCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 706717430 VRLTYOKDQDTMBS-UHFFFAOYSA-N 428.418 4.517 10 10 IJCE Cc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(C)n1-c1ccc(Br)cc1 733980473 UPNVHCTZUXNGFL-UHFFFAOYSA-N 436.313 4.894 10 10 IJCE Brc1cc(CN[C@H]2CCO[C@H](c3ccncc3)C2)ccc1N1CCCCC1 1202457462 QHHLOUOXRCFXLF-UGKGYDQZSA-N 430.390 4.844 10 10 IJCE Cc1cc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 1626530449 AWEVICMZOADYDD-LJQANCHMSA-N 425.916 4.598 10 10 IJCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)n12 1860085661 IGYCIRPKDASPFE-WUXMJOGZSA-N 436.927 4.672 10 10 IJCE Cc1c(Cl)ccc2c(O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc12 1866508522 GSPDSANSRVCPRY-UHFFFAOYSA-N 442.858 4.930 10 10 IJCE Cc1ccc(O)c(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c1 2079720033 FJQPGNCQBJNTMD-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(N)c2I)cc1C 2079998316 PHVLHPVASVFAKG-SFHVURJKSA-N 437.325 4.659 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)NCc1cc(Br)cc(F)c1O 2099631078 PNWVSOKPTUQLAG-HNNXBMFYSA-N 431.346 4.562 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262753 WTKDBSUPOAEKSZ-RBDMOPTHSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)C[C@H]1C1CC1 2198270074 IGDDCKIGOWQUCR-RDJZCZTQSA-N 443.357 4.562 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccccc2[N+](=O)[O-])cc1 2332144906 YKZGYPSPBGWKRB-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE Cc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(O)c1Br 2352953065 RVHCQNJYJVHUPM-INIZCTEOSA-N 427.383 4.636 10 10 IJCE Cc1ccc(CN[C@H]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380811069 YVWITLNQCSNGKJ-HRAATJIYSA-N 439.394 4.732 10 10 IJCE CCOC(=O)CC1(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)CCCCC1 9228729 FGZFXWONQLDTRH-UHFFFAOYSA-N 429.536 4.689 10 10 IJCE COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)n2C)cc1 21368452 NWVLWIXVZRFMOO-UHFFFAOYSA-N 432.549 4.873 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 206469692 SUTPOTSBIVZQNK-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE CN(C1=NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1)c1ccccc1C(=O)O 208345717 OICOZLOLXXFOOK-UNOMPAQXSA-N 449.444 4.660 10 10 IJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 210720993 XLPJLJLJTFZUNO-XDJHFCHBSA-N 426.563 4.705 10 10 IJCE COc1ccc([C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c2nccn2C)cc1 248156165 VQNVUEJNMUNHNS-DEOSSOPVSA-N 428.536 4.664 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)c1 526251195 ADNPDQAOKCIAAW-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccc2c[nH]nc2c1 526281929 PPIYMSBIOLWKHS-NRFANRHFSA-N 433.851 4.685 10 10 IJCE CN1CCc2cc([C@H](O)c3ccc(Br)cc3NC(=O)OC(C)(C)C)ccc21 2163070355 HSILFSKOXVJXGR-IBGZPJMESA-N 433.346 4.870 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2cccc(I)c2)cc1Br 2280267039 PECDWAIZULAPIM-NSHDSACASA-N 446.126 4.743 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccccc1 2294593295 WXBLLUSXRNTMSJ-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE Cc1ccc(-c2onc3ccc(C=C4SC(=S)N(CCCC(=O)O)C4=O)cc23)cc1 2314592915 DMXGADFHPOPBCC-UHFFFAOYSA-N 438.530 4.869 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)N(C)C)cc1 2323879794 GZHUGOWVSZSYJA-LJQANCHMSA-N 444.647 4.921 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc(Cl)c(O)c(OC)c2)cc1 2332139811 VMFKFSIHIMLIQI-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1 13643924 OXQVKDBGWJKNLY-QTEQDKRBSA-N 425.598 4.656 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467323 FAEBHKGRLFQBOA-PJIJBLCYSA-N 439.364 4.776 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3C)C(=O)N=C2S1 32964194 QTXYRJHBPCZBPC-KBQFJHCTSA-N 436.497 4.503 10 10 IJCE COc1cccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 34687593 HFYLJKYNVRRIDA-WOJGMQOQSA-N 435.954 4.637 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1cccc(Br)c1 526155300 KXSCPPFPAMNOFE-GOSISDBHSA-N 444.306 4.979 10 10 IJCE Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1F 687752886 NORIIGFERMUXBK-OAQYLSRUSA-N 435.451 4.894 10 10 IJCE COc1cc(Br)c(CNCc2cc(C)cc(Br)c2O)cc1OC 781629545 JFLDXUVFUSYSKL-UHFFFAOYSA-N 445.151 4.533 10 10 IJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873164652 LCHDMIVVNSNTSQ-UHFFFAOYSA-N 445.538 4.903 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(C3CC3)C2=O)cc1 1873422087 FVDGQBYVFZNMOJ-UHFFFAOYSA-N 433.458 4.727 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 1925596498 ZLXWSNJSESEEPJ-RDJZCZTQSA-N 425.367 4.737 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C)c(C=O)c2I)C(C)(C)C)cc1C 2079946029 PJSUXBAOBZHTQK-MRXNPFEDSA-N 426.298 4.567 10 10 IJCE CCOC(=O)c1c(C2CCC2)nn([C@H](CC)c2ccc(OC)cc2O)c1Br 2080026552 XXUKFNQXXVGBHR-OAHLLOKOSA-N 437.334 4.803 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@](CNCc2ccc(Br)cc2O)(C(C)(C)C)C1 2160958848 XWZDBIZHSVZLKW-NRFANRHFSA-N 441.410 4.918 10 10 IJCE CC[C@H](NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2225549780 FGRAQPKANNTRNZ-JXFKEZNVSA-N 427.383 4.985 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)c1 2321738582 UWCLOYBZNXBBEW-UHFFFAOYSA-N 431.535 4.517 10 10 IJCE O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 21729660 AKBDCKBZPLHSAW-IBGZPJMESA-N 429.492 4.738 10 10 IJCE CNCc1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705673189 WRAYMYHROPONEE-ZRZAMGCNSA-N 428.418 4.517 10 10 IJCE CC[C@]1(CNCc2cc(Br)cc(F)c2O)CCCN1C(=O)OC(C)(C)C 715815700 YYBRCUCGESZLGD-LJQANCHMSA-N 431.346 4.563 10 10 IJCE CC(C)OCCCn1c(-c2ccc(Br)cc2)cnc1SCCN(C)C 914526552 AKDJJTZOJXTWHI-UHFFFAOYSA-N 426.424 4.781 10 10 IJCE O=C(O)C[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1O 1951968199 NCQKWGUTSYGOLH-INIZCTEOSA-N 447.487 4.585 10 10 IJCE CC[C@]1(NCc2cc(Br)ccc2O)CCCN(C(=O)OCc2ccccc2)C1 2027855241 MTCAIPBOHGHOSH-QFIPXVFZSA-N 447.373 4.826 10 10 IJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](CC)c2ccc(OC)cc2O)c1Br 2080055881 LVMBLZSOQXONGK-CQSZACIVSA-N 439.350 4.833 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1OC 2296441737 JXCHNPKMQIBUIG-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1 2296754061 YDXMSQHVOYUYNR-UHFFFAOYSA-N 426.563 4.575 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(Cl)c(Cl)c1 2296807661 TUBWSNIEIDTAPA-UHFFFAOYSA-N 429.375 4.895 10 10 IJCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccccc1I 2297451642 RQCQOHHARICLTJ-UHFFFAOYSA-N 431.277 4.627 10 10 IJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(OC)c1 2313510779 QJNZRPLTMGZGQU-UHFFFAOYSA-N 442.309 4.725 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 2314828195 RFCGRSOJQOARNQ-UHFFFAOYSA-N 431.608 4.671 10 10 IJCE CCCOc1c(Br)cc(C=C2C(=O)N(CCC)N=C2C(F)(F)F)cc1OC 2332114498 KCEOGXHRFBQXMQ-UHFFFAOYSA-N 449.267 4.800 10 10 IJCE Cc1cc(I)cc([C@H]2N=C(O)c3c(sc4c3CCCC4)N2)c1O 35668926 CNVCRDQZABTNOP-HNNXBMFYSA-N 440.306 4.674 10 10 IJCE CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 40859650 ZDUPOMIURLUCKL-SXGWCWSVSA-N 448.909 4.831 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3cc4cccc(Br)c4o3)CC2)cc1 110477316 PLDYXYRHVPDKOL-UHFFFAOYSA-N 429.314 4.603 10 10 IJCE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251749 AECMUCIERHKYAK-UHFFFAOYSA-N 447.556 4.975 10 10 IJCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nc(O)c2ccccc2n1 1466399753 WBNXGQHWJBDWOH-GOSISDBHSA-N 427.504 4.764 10 10 IJCE CC[C@@H](Oc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1)C(=O)O 1614238846 MFSKJYYMCGBXHC-GFWCWIAXSA-N 427.547 4.891 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)c1O 1655090876 VOHVXYYOPAFDAG-UHFFFAOYSA-N 428.504 4.711 10 10 IJCE Cc1cc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)ccc1Br 1860087404 VCUTVPSBMRCBOD-LICLKQGHSA-N 448.363 4.935 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(C=O)c2I)cc1C 2079977418 LTIFCUAICZNCKD-GOSISDBHSA-N 438.309 4.745 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 2293625419 CNAAFGVJKQFDFG-UHFFFAOYSA-N 427.243 4.920 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1Cl 2297335429 AXTZMFSFBTWCGU-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE O=C(NN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S)c1ccccc1Cl 2314720674 YWJNCDJCGMZJAO-UHFFFAOYSA-N 427.309 4.679 10 10 IJCE CCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(OCC)c(OC)c3)SC2=S)c1 2314732406 RCXNEBGXXQAYSU-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1 2321653498 HUSBFSYOAQNBQQ-UHFFFAOYSA-N 440.590 4.648 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)ccc1O 14904666 GRCVEOLFDYPUJW-YBEGLDIGSA-N 429.548 4.629 10 10 IJCE CC1CCN(c2ccc(CNC(=O)CSc3nccnc3Oc3ccccc3)cc2)CC1 96332620 XJUYPKCPMJCWHE-UHFFFAOYSA-N 448.592 4.914 10 10 IJCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1Cl 213031393 BZJCLDCJEYBDCN-UHFFFAOYSA-N 431.522 4.916 10 10 IJCE CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)[C@H](C)C3CC3)c(Br)cc21 385525033 WIKLWPAGJGKKSJ-SZNDQCEHSA-N 428.374 4.857 10 10 IJCE Cc1cc(N)c2c(c1N(C)C)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 958529648 UABZZOXUCQNIOI-UHFFFAOYSA-N 427.548 4.950 10 10 IJCE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1cc(O)c(O)c(O)c1 1865876369 GZYRBRZAJKWARI-UHFFFAOYSA-N 427.478 4.578 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(O)cn2)sc(C)c1-c1ccc(Br)cc1 1865963597 ZQLYTCYEUMFTCG-UHFFFAOYSA-N 447.310 4.626 10 10 IJCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CNC2CC2)cc1Br 1915039341 JACPJVOMTROHMT-UHFFFAOYSA-N 425.374 4.582 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](C2(NCc3cc(Br)cc(F)c3O)CC2)C1 1967777251 WBKVNTBOAIAQBW-CQSZACIVSA-N 443.357 4.563 10 10 IJCE CC(C)(C)c1nn(Cc2c(O)cccc2F)c(I)c1C1CCC1 2079716329 ZEUUEMQNQUIVFD-UHFFFAOYSA-N 428.289 4.946 10 10 IJCE CCNCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163334980 PFJWVGSRJIZZPV-HSZRJFAPSA-N 428.418 4.661 10 10 IJCE CCNCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1Br 2234699775 ADWUAPFATJBMTC-SZPZYZBQSA-N 428.418 4.802 10 10 IJCE CN(CC1(Oc2ccc(N)cc2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2249712204 JOYNRDDFFIHDQM-UHFFFAOYSA-N 425.573 4.549 10 10 IJCE Cc1ccccc1OCCOc1ccccc1C=C1C(=N)N2N=C(C(C)C)SC2=NC1=O 2293191925 KLEIGQLMPACNRU-UHFFFAOYSA-N 448.548 4.728 10 10 IJCE CCCCOc1ccc(C=C2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 2293379607 QWMRPNJDRPBCPE-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE COc1ccccc1C=C1N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O 2297300526 PYDCMRBOPSEUJW-UHFFFAOYSA-N 432.451 4.686 10 10 IJCE O=C1C(=CNc2ccccc2C(F)(F)F)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 2297616227 GZNBXKFAQDPUGN-UHFFFAOYSA-N 444.291 4.875 10 10 IJCE COc1ccc(N2N=C(C)C(=CNc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 2313548317 SABXRZHMYBTHHZ-UHFFFAOYSA-N 429.524 4.833 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc(Br)c1O 2332110736 GXIUZMQVYVUYLT-UHFFFAOYSA-N 429.314 4.664 10 10 IJCE COc1ccc(-c2cnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2C)cc1 15729625 YCKPPEKPXYDWSJ-UHFFFAOYSA-N 437.443 4.725 10 10 IJCE Cc1ccc(-n2c(C)cc(CC(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)c2C)cc1 97211262 AUGHAFLRLVELJL-DEOSSOPVSA-N 431.536 4.701 10 10 IJCE CC(=O)N(C)c1ccc(N=N[C@@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 252626620 RCGVWGQVJPIYAA-FQEVSTJZSA-N 432.509 4.668 10 10 IJCE CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3cc(O)nc4ccccc34)no2)C1 564287869 RKRLUEWWPVDWPB-UHFFFAOYSA-N 439.519 4.760 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 708076943 NYWLSDQCDSEMMF-AWEZNQCLSA-N 433.774 4.687 10 10 IJCE CCNCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c(Br)c1 719372670 UNLIKSABXSPBAZ-SFTDATJTSA-N 428.418 4.517 10 10 IJCE Cc1c(Cl)cccc1N1C(=O)/C(=C\c2c(Br)cnn2C)SC1=S 778249050 UMROPWFTZKVQPN-AWNIVKPZSA-N 428.764 4.550 10 10 IJCE O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 780493551 ABYTWUULMASQSY-INIZCTEOSA-N 430.476 4.615 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 1860087264 LCTDQILMRODQCK-XSFVSMFZSA-N 425.579 4.897 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC 1865678240 ATBGKFCUVYLXFO-WOJGMQOQSA-N 428.916 4.948 10 10 IJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080002976 GHLXCBJLIMSKSB-GOSISDBHSA-N 437.334 4.659 10 10 IJCE CC[C@@H](NC1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2160170260 ZXFFMIMNZMKJHE-GRDNDAEWSA-N 439.394 4.841 10 10 IJCE CC[C@H](C)NCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 2240008050 WZTVBXLMVQTOSS-SFHVURJKSA-N 428.418 4.659 10 10 IJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)SC1=S 2331595110 ONJQJFGPQHYSNV-UHFFFAOYSA-N 444.553 4.700 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc([N+](=O)[O-])cc2)cc1 2332148148 JVCKLPDNEVVNQU-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE Cc1ccc(CNC(=O)CCCCCN(C)C(=O)OC(C)(C)C)c(O)c1Br 2380749811 SDXVYJXYLUXSCV-UHFFFAOYSA-N 443.382 4.507 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)OC(C)(C)C)c(O)c1Br 2380799493 ZLDFSKQUUHGJKH-XIRDDKMYSA-N 439.394 4.731 10 10 IJCE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469242 VPRACMOAGAIBKY-RLSLOFABSA-N 432.520 4.683 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1 14475200 AVKQGULGRDREQM-ZEVJAHDQSA-N 446.572 4.687 10 10 IJCE Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 33436461 LTVUJUOXZLRZOB-OEAKJJBVSA-N 448.954 4.906 10 10 IJCE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 381864178 CQCUGFAXVSCKPL-VLIAUNLRSA-N 427.383 4.718 10 10 IJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526286160 ABTSXHFWCOYBEK-XMMPIXPASA-N 447.487 4.952 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c(OC)c1 1084089791 TXPBJGKKTXQJCT-NVMNQCDNSA-N 434.970 4.936 10 10 IJCE Brc1cc(CNCc2ccc(-n3ccnc3)cc2)ccc1N1CCCCC1 1199896139 KWBVETAVMRYALX-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 1860085378 HPXMXICFCFTYMB-CJLVFECKSA-N 437.634 4.968 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(C)c(C)c1 1860761552 YHUWHDJBIJMVFA-KBXCAEBGSA-N 442.581 4.760 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC 1865671213 QGUVSNDOAFDVGD-RQZCQDPDSA-N 447.304 4.797 10 10 IJCE CCCOc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1OCCC 1874686838 JPPMMRSWYXZVKJ-UHFFFAOYSA-N 440.584 4.668 10 10 IJCE CN1CCCc2cc([C@H](O)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044733043 HGLGPZATGILYLI-LADGPHEKSA-N 440.584 4.603 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3cc(Br)ccc3O)[C@H]1CC2 2097863788 OWWVCAIXCBWECV-YESZJQIVSA-N 425.367 4.565 10 10 IJCE CCc1ccc(OCCCOc2c(C=C3SC(=S)NC3=O)cccc2OC)cc1 2297347316 DWFIMFVSDWDFJS-UHFFFAOYSA-N 429.563 4.594 10 10 IJCE Cc1ccc(C(=O)O)cc1N1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S 2314539348 QIZHNVAWYIFSAB-UHFFFAOYSA-N 426.475 4.563 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 2314767709 HLXUBBSZMAOQNI-IBGZPJMESA-N 427.547 4.893 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 20681380 MBAJXEBXRJMMAI-IECBHUPTSA-N 440.565 4.535 10 10 IJCE Cc1ccc(OCCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 33447161 GSMJWMUUFJFJTE-CJLVFECKSA-N 447.466 4.911 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526170450 AQOXPENOFXYBPV-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]2(NCc3cc(Cl)cc(Br)c3O)CCC[C@H]12 708055579 FXGHKCNQDSZKHW-HNAYVOBHSA-N 445.785 4.830 10 10 IJCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1 717120504 DLNXPIIIMVXNTD-GFCCVEGCSA-N 425.303 4.681 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741212115 GVQDIYPTTJFZLP-OALUTQOASA-N 436.499 4.558 10 10 IJCE C/C(=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C(F)(F)F 742080066 PMKRNDVTFNTMLH-VKAVYKQESA-N 432.486 4.634 10 10 IJCE CC(=O)c1cc(F)cc(CN(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1O 1645857189 LZYPBASZTWMYKP-VWLOTQADSA-N 447.554 4.796 10 10 IJCE CC(C)N(C(=O)c1cncc(Br)c1)c1cccc2c1C(=O)c1ccccc1C2=O 1859889278 BEMBLBDIEIJNPH-UHFFFAOYSA-N 449.304 4.675 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)CC1(C)C 2037668503 WARKSVDRWDZUBK-CYBMUJFWSA-N 433.774 4.686 10 10 IJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(N)c2I)cc1C 2080005672 MFKGOODKONFLPH-MRXNPFEDSA-N 439.341 4.689 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@@H]2CCCC[C@@H]21 2179396646 WEAVWIORLADZNZ-XIRDDKMYSA-N 443.357 4.562 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C2=O)cc1 2294124643 NQOPDRWUFLTGMG-UHFFFAOYSA-N 440.499 4.803 10 10 IJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1OCc1ccccc1 2294130809 JEJMBQUOEHYKKD-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 2294229261 CBBXFCDUBIEKES-UHFFFAOYSA-N 443.572 4.851 10 10 IJCE N=C1C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(c3ccco3)=NN12 2297358630 ORPOHEUQQOOAED-UHFFFAOYSA-N 440.843 5.000 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1C 2297470734 KJAHDRFWFOQJOH-UHFFFAOYSA-N 445.470 4.892 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(OC(F)(F)F)cc2)C1=O 2321734379 MJCBEWBGFIQQER-UHFFFAOYSA-N 435.452 4.947 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C 2332141399 VNJXUVKFHMCTPJ-UHFFFAOYSA-N 435.307 4.821 10 10 IJCE Cc1ccc(CN[C@@H]2CCC3(CCC3)N(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380810729 HQFIOGNPUHUDDR-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2 20706651 BRYDGEOORGKRBH-YPCDYVTLSA-N 446.572 4.740 10 10 IJCE C[C@@H](NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1)c1ccc(N2CCOCC2)cc1 109925773 AYOWYYHOPQNETD-PHRJPNOBSA-N 447.510 4.740 10 10 IJCE CC(C)NCc1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 382767407 HKJVQQNFBBJDRI-OAQYLSRUSA-N 430.434 4.905 10 10 IJCE Cc1cc(CCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(C)n1-c1ccccc1 746424117 DVDMNOCKHQNZLN-HSZRJFAPSA-N 444.579 4.697 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(N=Nc2ccccc2)ccc1O 1084633699 VBBCMIWEICZUPC-KTPKDSFXSA-N 446.463 4.778 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc(OC)c1O 1865677812 FAHFWNIDIBNMIB-ODLFYWEKSA-N 434.879 4.897 10 10 IJCE CC[C@](C)(NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020410 AJNHQMZTJTUWPL-JWIGPWBQSA-N 446.547 4.512 10 10 IJCE CC[C@@H](C)N1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164943 ZNKSOIWVDCWLHQ-QGZVFWFLSA-N 445.538 4.901 10 10 IJCE CC(C)C1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 2296733083 WGBIZGWGQDHFJQ-UHFFFAOYSA-N 443.872 4.783 10 10 IJCE Cc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2297360318 IFAQWIDFWBAVOW-UHFFFAOYSA-N 439.518 4.997 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C(C)=O)c2)C1=O)C(=O)O 2314934446 ZVIKUZRVCAMBRQ-KRWDZBQOSA-N 441.530 4.537 10 10 IJCE COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 33247172 RSFUETKVZQZSLA-HZHRSRAPSA-N 440.499 4.533 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 33705498 SMZJJUICGYCHBL-HMMYKYKNSA-N 440.590 4.878 10 10 IJCE Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1Cl 38642782 BUYSUTJETYJLIR-PGRDOPGGSA-N 430.976 4.690 10 10 IJCE CC[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)ccc1O 311303176 OEDRUCCCSQBUFG-KRWDZBQOSA-N 425.367 4.763 10 10 IJCE Cc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c1 526161137 YRUHBDIULCWQBG-RUZDIDTESA-N 442.515 4.889 10 10 IJCE CCN(Cc1ccccc1)c1ccc(/C=C/c2nc(O)c3cnn(-c4ncccn4)c3n2)cc1 746519307 BSSHFUJFCLZYHC-SDNWHVSQSA-N 449.518 4.508 10 10 IJCE O=C1c2ccccc2C(=O)C1[C@@H](c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O 1088674970 MFZFCWSRIBAVDK-LJQANCHMSA-N 430.843 4.979 10 10 IJCE Brc1cc(CNCCN2CCc3ccccc3C2)ccc1N1CCCCC1 1308189823 IKBGCCWNJDXOLO-UHFFFAOYSA-N 428.418 4.587 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Br)cc1)c1ccccn21 1873966583 HWAARIWTRFJRPL-UHFFFAOYSA-N 445.272 4.730 10 10 IJCE COC(=O)c1c(O)c(N=Nc2cccc(Cl)c2Cl)c(O)n(-c2ccccc2)c1=O 1933317120 ISZJSSMLIDTVSN-UHFFFAOYSA-N 434.235 4.758 10 10 IJCE COc1ccc([C@@H](C)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1960171711 QCUZFWSQTRIFQE-QGZVFWFLSA-N 432.520 4.590 10 10 IJCE CCN(Cc1ccc(I)c(Br)c1)c1ccc(N)cc1 2349787663 RFYGRMBCHNMKDZ-UHFFFAOYSA-N 431.115 4.662 10 10 IJCE Oc1cccc(Br)c1CNc1cc(F)c(F)cc1I 2351708748 PQHCOBJQOJKCDW-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1Br 2352950073 NHBHYWSLMVICNM-ZBFHGGJFSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCCC3)C2)c(O)c1Br 2381128835 AGPSLSMZWMNYMP-INIZCTEOSA-N 439.394 4.875 10 10 IJCE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 841397 FTEQXEQNEJHHPL-FYJGNVAPSA-N 438.405 4.746 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152218 GLFKTTYQGMEODM-AQTBWJFISA-N 441.534 4.523 10 10 IJCE COc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C 108351471 JSGHQIJCXZMRKX-UVTDQMKNSA-N 431.536 4.765 10 10 IJCE COc1ccc(N2CCC(NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 766193561 CTGJHJDSXBOFFA-QHCPKHFHSA-N 425.573 4.520 10 10 IJCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865665242 JARIQNGBGAWYJF-PXLXIMEGSA-N 428.488 4.543 10 10 IJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079987166 VPOSVGDYLIEVTF-GOSISDBHSA-N 437.334 4.659 10 10 IJCE COc1cc(C=C2N=C(c3ccccc3)N(c3ccc(C)c(F)c3)C2=O)cc(OC)c1OC 2297300501 KEWYCFRJYNFXCD-UHFFFAOYSA-N 446.478 4.994 10 10 IJCE CC(C)(C)OC(=O)NCCCc1ccnc(NCc2cccc(Br)c2O)c1 2370283310 BVWXSMQXOXYZKP-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)c(O)c1Br 2381130765 DMUVCAFDSVYOES-DLBZAZTESA-N 441.410 4.834 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 15037680 ZTZPLUAWPBGYKZ-WQRHYEAKSA-N 425.510 4.537 10 10 IJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 40940361 FVFMFBNBXYSHEZ-GZTJUZNOSA-N 432.954 4.673 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c1 59377605 XWDCMLMZRGYJRB-VCHYOVAHSA-N 434.970 4.936 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3cc(-c4ccccc4)nc4onc(C)c34)CC2)cc1 110359304 HIVYVUNQJILDED-UHFFFAOYSA-N 442.519 4.606 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 210463626 ARZHDGULUKQXIP-UYRXBGFRSA-N 443.546 4.653 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 323372075 DPCIGMYWTVFCOA-SECOEOQKSA-N 429.358 4.505 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)cc1 504109540 KROIZQLPVOFDSY-GZIXOKGZSA-N 438.612 4.520 10 10 IJCE biogenic Cc1cc(CCNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccc1 789918276 SUCAAINNKYLGEN-UHFFFAOYSA-N 444.579 4.697 10 10 IJCE COc1cnc([C@@H]2CCCN2C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)nc1O 1640131837 AGOVJIMKIOZZPO-FQEVSTJZSA-N 446.511 4.650 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(C(C)C)C2=O)cc1 1873423698 HPSOKHLNVWIPMX-UHFFFAOYSA-N 435.474 4.973 10 10 IJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(N)c2I)cc1C 2080041238 BILXKNUCOTZNNO-INIZCTEOSA-N 439.341 4.689 10 10 IJCE CC[C@@H](NCC1CC2(CCN2C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2161582094 OJYURPIAFBUDEP-CXJKMVGQSA-N 439.394 4.985 10 10 IJCE CN(C)c1ccc(CNc2ccc(Br)cc2I)cc1 2231656335 ODPZVGLTUMAMNR-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE CCCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(Br)ccc21 2296714208 IZNRGZXCJXTWLP-UHFFFAOYSA-N 439.400 4.577 10 10 IJCE CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)SC1=S 2297499185 DBTRGUZQLOZTLS-UHFFFAOYSA-N 438.343 4.998 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2ccccc2OCc2ccc3ccccc3c2)SC1=S 2297578067 BHAHUXLZPYUEKM-UHFFFAOYSA-N 435.526 4.705 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CNCc1cc(Cl)cc(Br)c1O)C(C)(C)C 2315285802 NPIVPCIXRIQZCV-CQSZACIVSA-N 435.790 4.837 10 10 IJCE Cc1ccc(CNC[C@]2(C)CCCCN2C(=O)OC(C)(C)C)c(O)c1Br 2352695266 ZQWGPHXQPPKZCG-FQEVSTJZSA-N 427.383 4.732 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21)N1CCOCC1 14472999 WPEGNHQGXCLIEN-ZWWNWMABSA-N 439.899 4.547 10 10 IJCE O=C1N=C(NC2CCCCC2)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 21334256 KBADPABXWLCSAT-HMAPJEAMSA-N 443.576 4.886 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 33366620 BQHWWJSCOGVWGL-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE O=C1C[C@@H](N2CCC(N3CCCCC3)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712862 XWRAOOZOAMXSOI-CSGLMTGXSA-N 445.567 4.684 10 10 IJCE CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1 206446900 NJVBCLPKJQSHKI-XMHGGMMESA-N 433.595 4.943 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226741977 SLBQDACXIZQEOH-WHSLLNHNSA-N 447.944 4.763 10 10 IJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 250237253 OWEFMRKDYCJYMI-TZBSWOFLSA-N 431.561 4.729 10 10 IJCE CC(C)(C)OC(=O)NCCc1ccc(CNCc2cccc(Br)c2O)cc1 380633588 BYSBWECTPRILFD-UHFFFAOYSA-N 435.362 4.512 10 10 IJCE CC[C@H](NCC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 381881716 HHMULVPULOFIIK-WBVHZDCISA-N 427.383 4.985 10 10 IJCE COc1ccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 687756080 PVMIQBICQXFJOP-SANMLTNESA-N 447.487 4.629 10 10 IJCE COc1ccccc1-c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(O)n1 1440679617 CORYFVZIECZCBI-UHFFFAOYSA-N 431.536 4.725 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4ccccc4)cc3C)c2)CC1 1537422993 FMGJFDDJVCMGKQ-UHFFFAOYSA-N 429.520 4.708 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)NC2CCCCCCC2)sc(C)c1-c1ccc(C)cc1 1860761496 WCWRHXNOOXDDSI-UHFFFAOYSA-N 442.581 4.986 10 10 IJCE CCC1=NN(C)C(=O)/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865676162 UZPDYPKPCPUONC-OQLLNIDSSA-N 433.291 4.843 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)Cc2ccco2)c(Br)c1 1915120463 WQMOSVFPMAOSOB-UHFFFAOYSA-N 429.358 4.985 10 10 IJCE CCCN[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947484390 KGAOSHLSQSBJON-IRLDBZIGSA-N 428.573 4.933 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1O 1951664359 AAAZFIPQCHJDNC-QFIPXVFZSA-N 435.451 4.976 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 1998332768 BRPNILYKYLECCK-IPMKNSEASA-N 433.346 4.653 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1 2293716059 ULYZTAUQONSNIY-UHFFFAOYSA-N 425.916 4.930 10 10 IJCE Cc1cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(O)cc1 2294010651 CMGTUOUHEXERBS-UHFFFAOYSA-N 449.488 4.944 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 2296683304 DLFNNWVTOZZIHT-UHFFFAOYSA-N 434.336 4.579 10 10 IJCE CN1C(=O)NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O 2297305250 RIHXDGFQTGFDHI-UHFFFAOYSA-N 447.494 4.903 10 10 IJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccco2)SC1=S 2314837428 SCNIFYUCVAWHTO-JTQLQIEISA-N 426.441 4.527 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 2323681322 OMMXZRKGRVCHJB-BFJAYTPKSA-N 433.595 4.738 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 6997597 LSNWHTDMYCBWSC-BOPFTXTBSA-N 442.855 4.890 10 10 IJCE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 33369711 YIIWVODJQPEAAN-ONWPUYBOSA-N 448.548 4.790 10 10 IJCE COc1ccccc1-c1c2c(nc3sc(C(=O)Oc4ccccc4)c(N)c13)CCN(C)C2 40570219 MOAAIYMZZGWOJG-UHFFFAOYSA-N 445.544 4.761 10 10 IJCE Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(OCCC(C)C)cc2)SC1=S 40940708 ZFNYCXBSPQJXQX-XSFVSMFZSA-N 440.590 4.966 10 10 IJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1 65023765 SRTHIBLJORAMHX-QHCPKHFHSA-N 443.595 4.523 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526542691 STYVEMLFOOKKNT-JOCHJYFZSA-N 439.414 4.832 10 10 IJCE C[C@H]1[C@H](NCc2cc(Br)cc(F)c2O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 715761885 VVFCSBPGMHBQFN-ASTDHERZSA-N 443.357 4.560 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3ccc(-c4csc(C)n4)s3)CC2)cc1 726702174 GCQUJDADWZMALY-UHFFFAOYSA-N 442.610 4.657 10 10 IJCE CCS[C@@H](C)c1noc(CN(C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 766852962 CMLIMBVOGQYLPZ-SFHVURJKSA-N 441.601 4.675 10 10 IJCE CC(C)(C)OC(=O)c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 775353636 BDCDUULHBVMPHR-GOSISDBHSA-N 426.513 4.561 10 10 IJCE CCN(CC)C(=O)CCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1081156814 IQAUCPMVIKPSKP-NTCAYCPXSA-N 430.517 4.555 10 10 IJCE CC(=O)c1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c1 1289510919 PNYKZYMEVHNGQM-UHFFFAOYSA-N 435.281 4.614 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 1858594043 IQCXLZPLJNZCJF-WLSWZUKCSA-N 445.591 4.695 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 1860076586 MKEYKNSAHBHEMY-CPNJWEJPSA-N 443.546 4.676 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1OC 1860085234 XRJJUUQQLPKIGN-OVCLIPMQSA-N 436.898 4.671 10 10 IJCE COC(=O)c1c(NC(=O)c2cncc(N)c2)sc(C)c1-c1ccc(Br)cc1 1866002230 LFIZKZABZZEINP-UHFFFAOYSA-N 446.326 4.502 10 10 IJCE CCNCc1ccc(N2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1Br 1921464899 VJHWBRKOIWUHSL-RBUKOAKNSA-N 430.434 4.905 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc(F)cc1O 1952828870 GBFGVNHQBKVBFJ-URXFXBBRSA-N 447.462 4.928 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2040482250 LMFUULFMBVCULC-UHFFFAOYSA-N 433.596 4.575 10 10 IJCE CC(C)(C)OC(=O)NC1(CCNCc2cc(Cl)cc(Br)c2O)CCC1 2041187370 RWSWHSUQJQUMSR-UHFFFAOYSA-N 433.774 4.735 10 10 IJCE COc1ccc([C@@H](n2nc(C(C)C)c(N)c2I)C(C)(C)C)c(O)c1 2080006151 JGNRBWMOGYRNSN-MRXNPFEDSA-N 443.329 4.543 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNCc1cc(Cl)cc(Br)c1O 2218547889 XBLVCASTEYKWFW-SFHVURJKSA-N 433.774 4.687 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(Cl)c1Cl 2297554657 PCDWHZGNGPUGHK-UHFFFAOYSA-N 429.375 4.895 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)cc1C 2313682433 CHEAHMPOGLVQAJ-UHFFFAOYSA-N 434.521 4.565 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(Br)c1 2314768496 KHLPKJOFUURDLM-UHFFFAOYSA-N 436.352 4.526 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c(O)c1Br 2352685452 FIDJBDLPTVYQDK-RHSMWYFYSA-N 427.383 4.587 10 10 IJCE COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071264 MMSMGEBPDAHJHK-PXDATVDWSA-N 432.476 4.660 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccccc2Cl)C(=O)N=C2SC(Cc3ccccc3)=NN12 32964435 ZNGILVAWTGEORK-AJEBYCSESA-N 445.935 4.993 10 10 IJCE O=C(O)C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 35624443 UAABNFJMJNTVBL-VGVSSDJJSA-N 448.363 4.866 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 707848534 HLBIQMHXDVHQPN-SFTDATJTSA-N 428.418 4.515 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](CNCc1cc(Br)cc(F)c1O)c1ccccc1 715825866 GHPRYLIZHJUELO-KRWDZBQOSA-N 439.325 4.649 10 10 IJCE COc1ccc(N2CCC(NC(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)cc1 798424109 HEKLCGXSRQGDAF-UHFFFAOYSA-N 428.576 4.882 10 10 IJCE CC1CCN(c2cccc(NC(=O)c3cc(Br)cc4nc(O)[nH]c34)c2)CC1 1147432977 QLYYTDAEQADTDD-UHFFFAOYSA-N 429.318 4.520 10 10 IJCE O=C1CCCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)ccc2N1 1859572177 PAQBWZJDUQCUEB-UHFFFAOYSA-N 433.942 4.539 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F 1865678681 YFWNXSXCZKLSKW-WQLSENKSSA-N 440.805 4.714 10 10 IJCE CC[C@H](N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 1998332767 BRPNILYKYLECCK-GBESFXJTSA-N 433.346 4.653 10 10 IJCE CC[C@@H](NCC[C@]1(C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2225549782 FGRAQPKANNTRNZ-OXQOHEQNSA-N 427.383 4.985 10 10 IJCE C[C@@H](Nc1ccc(Br)cc1I)c1ccc(O)cc1O 2231654482 CVUPSHABZQODAX-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3cccc(C)c3)C(=O)N=C2S1 2297463204 OUGMNQNBIBCWAE-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)cc2)SC1=S 2314767505 HFWJASWTFFCHHH-IBGZPJMESA-N 427.547 4.591 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)cc1 2323739363 ZWEXINFNFIUNBG-UHFFFAOYSA-N 438.574 4.639 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@H]2CCN3Cc2ccccc2)c(O)c1Br 2380792777 LZRZOSPRYXLDCK-NZQKXSOJSA-N 429.402 4.998 10 10 IJCE Cc1ccc(CN[C@H]2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131841 SPIHMRLHPVHXDA-FXSSYKJWSA-N 439.394 4.635 10 10 IJCE Cc1ccc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Br 2381144228 XQSQQAZSCLBKAX-YESZJQIVSA-N 439.394 4.588 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 100276156 BGCGCNAMIQFIRT-OQLLNIDSSA-N 432.259 4.569 10 10 IJCE COc1ccc(Nc2ccccc2C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 108576327 FFXJLPJDPHJKGD-UHFFFAOYSA-N 431.536 4.800 10 10 IJCE CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C2CC2)cc1 745850051 WENVRZBOJMTISD-AUSIDOKSSA-N 426.630 4.571 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1CCc1ccc(O)cc1 1858588012 MJQXEDVWGQBZSA-CXUHLZMHSA-N 438.343 4.738 10 10 IJCE CC1(CNCc2cc(Cl)cc(Br)c2O)CC(NC(=O)OC(C)(C)C)C1 2041616889 BWIKVQGFASBJNX-UHFFFAOYSA-N 433.774 4.591 10 10 IJCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(Br)c1 2151077220 XKXQSEUTCXLTII-GAJHUEQPSA-N 428.418 4.960 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(=Cc2ccc(Cl)cc2)O3)cc1 2297384396 VHAOFMZFOPBAAR-UHFFFAOYSA-N 447.922 4.708 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1OC 2314538989 ILVFNECGVKSSBI-HNNXBMFYSA-N 437.583 4.575 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C(=O)O)c2)C1=O)C(C)=O 2314928529 XMLBMNROSZGDAK-QGZVFWFLSA-N 441.530 4.537 10 10 IJCE Cc1ccc(CN2CCC(CNC(=O)OCc3ccccc3)CC2)c(O)c1Br 2327602906 LSVZMEPLNVJHAA-UHFFFAOYSA-N 447.373 4.602 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114655 CARXNPWYBAPGCF-UHFFFAOYSA-N 442.515 4.851 10 10 IJCE Cc1ccc(CNC[C@@]2(C)CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(O)c1Br 2381141378 YLQVCWFEOFFBHD-NRFANRHFSA-N 441.410 4.978 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14462265 IPWSYKBOFQDXEL-PPJWLVRDSA-N 431.580 4.832 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccccc1 15037236 KRCLJPWDKVOYHY-VBKFSLOCSA-N 447.379 4.679 10 10 IJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 15046666 ZOCVHGDXOZMKAB-ADVUTCEVSA-N 426.441 4.527 10 10 IJCE COc1cccc([C@H]2Nc3c(C(=O)O)cc(Br)cc3[C@H]3C=CC[C@H]32)c1OC 16447853 FVVYCRYJKIXAPC-JCGVRSQUSA-N 430.298 4.991 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 40888211 IQRDKWHXZLPYNG-HKWRFOASSA-N 441.574 4.810 10 10 IJCE Cc1ccc(-n2c(C)cc(CC(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)c2C)cc1 97211263 AUGHAFLRLVELJL-XMMPIXPASA-N 431.536 4.701 10 10 IJCE CCOc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)ccc1O 103117298 CAPIFKVNLLOPEU-PSZZWWBBSA-N 426.542 4.771 10 10 IJCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 745881879 SGRDZXNWDJGHQF-HXUWFJFHSA-N 427.545 4.580 10 10 IJCE Cc1cc(CCNC(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)n1-c1ccccc1 806344645 MGXWKWOYDIZBLV-UHFFFAOYSA-N 435.553 4.590 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1O 1657107484 SIAPVAKAHWBQSP-HXUWFJFHSA-N 436.980 4.860 10 10 IJCE Nc1ccc(CS(=O)(=O)Cc2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2)cc1 1857849950 PYLFRJRQROEVFY-UHFFFAOYSA-N 436.558 4.880 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1ccc(Br)s1 2106756953 LGJIWKKZLCUUPN-OAHLLOKOSA-N 440.407 4.672 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163262373 QLEXLVXRKGCIRC-FDDCHVKYSA-N 429.402 4.995 10 10 IJCE CCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 2293100624 AEZDCXZCJGJRLU-LJQANCHMSA-N 443.546 4.511 10 10 IJCE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296754906 QLWBADZPYAJESM-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 2314766589 BCGQXFAIESMGCL-LJQANCHMSA-N 427.547 4.893 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 14460617 SQVUOGYRHWFBOD-YPIYEQTHSA-N 444.984 4.624 10 10 IJCE Cn1c(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N=C2O)cc2ccccc21 33600643 XVYGQSXUKIVGNV-WJDWOHSUSA-N 429.423 4.869 10 10 IJCE CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)N3CCC4(CC3)OCCO4)c2C)cc1 35829039 JTXAVSPTXAFCMN-UHFFFAOYSA-N 446.547 4.831 10 10 IJCE CCc1c(C)c2ccc(O)c(CN3CCN(c4cc(Cl)ccc4C)CC3)c2oc1=O 58104624 JFVRPPLYXUDBJP-UHFFFAOYSA-N 426.944 4.653 10 10 IJCE Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C(O)=NC1=S 96469720 ZTRXIONHXTWHSY-MOSHPQCFSA-N 431.517 4.780 10 10 IJCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1c(F)ccc(Br)c1F 784053372 DMTOYVPMMDBTAZ-UHFFFAOYSA-N 429.224 4.689 10 10 IJCE CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1OC(C)C 1457106599 ZWCOAKPSJHNGBD-SFHVURJKSA-N 446.494 4.677 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705835741 SFOCWOSEKYYMLP-XUZZJYLKSA-N 431.584 4.956 10 10 IJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422272 OFDNXRJYHMYZOZ-UHFFFAOYSA-N 439.515 4.651 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(Br)ccc1O 2149391936 FESANIPBKCGJLH-HNONPPJISA-N 439.394 4.841 10 10 IJCE Cc1ccc(CNCCC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352943884 ZPSYOBMHORRIFC-UHFFFAOYSA-N 427.383 4.590 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2380817608 VPHXMQZKJAGTEC-DJIMGWMZSA-N 439.394 4.588 10 10 IJCE CC[C@H](NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 311434881 SNELFGDBTMGBGV-OXJNMPFZSA-N 427.383 4.985 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/C(=O)O)c(Br)c1 383349767 WAYYARMXINWLDE-LNENJAERSA-N 429.358 4.505 10 10 IJCE C[C@@H](Nc1cc(Br)ccc1I)c1ccc(O)cc1O 388713595 VHWWLJJJZDIPGQ-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CC[C@@H](NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1cc(Br)ccc1O 398840251 OLVAVMRUNNQWBM-NVXWUHKLSA-N 431.371 4.676 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)c1 745871732 RLBJNKYKDBJTGZ-RUZDIDTESA-N 446.547 4.959 10 10 IJCE C[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C[C@H]1n1ccnc1 759116031 DOMFAJIIVHOSBE-YFXJRYMSSA-N 442.523 4.514 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1C 1084083888 NFTZJDDRTYHKIE-HAHDFKILSA-N 426.472 4.549 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccc(OC)cc3)C2=O)cc1 1084110640 RPCFPBUTEXDQFM-ZHZULCJRSA-N 427.595 4.812 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc4ccc(Br)cc4s3)CC2)cc1 1356444651 BRLPWLJKPMUYHR-UHFFFAOYSA-N 431.355 4.635 10 10 IJCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)COC 1705669191 FUNONGHGCHOOCH-NIYFSFCBSA-N 431.584 4.627 10 10 IJCE CCc1ccc2oc(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2c1 1859707145 JCHNXXFAUBDOQQ-UHFFFAOYSA-N 437.451 4.692 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3OC(C)C)C2=O)cc([N+](=O)[O-])c1O 1860086191 POHUIXZHYURGFI-LICLKQGHSA-N 446.506 4.502 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc(OC)c1O 1865677745 AOTIZFADCIOSCW-UNOMPAQXSA-N 434.879 4.897 10 10 IJCE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(I)cc2)c1C 1874179154 QIPYQHWKRJWNIQ-UHFFFAOYSA-N 446.288 4.960 10 10 IJCE CCN(CC)c1ccc([C@@H](N)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044764923 SKJZDNXFRQZJDO-BJKOFHAPSA-N 440.632 4.558 10 10 IJCE C[C@@H]1C[C@H](N(C)c2ccc(CNC3CC3)c(Br)c2)CN1Cc1ccccc1 2154821747 DHLGPEAWJNIZKX-VGSWGCGISA-N 428.418 4.800 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CCCNCc2ccc(Br)cc2O)cn1 2169173384 SWSAUAIPPQBSIT-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280336688 JBVDSFBWOFERHY-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3OC)cc2)SC1=S 2297347235 NWCHPLWOIBYKAJ-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1cc(Cl)ccc1O 2297350579 GSRODGXDOBECJW-UHFFFAOYSA-N 444.965 4.832 10 10 IJCE COc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314829212 ZPTUYCVPLRGMQU-UHFFFAOYSA-N 432.954 4.579 10 10 IJCE CCN1N=C(c2ccccc2)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 2332134029 BLGKVDMJHDYXTB-UHFFFAOYSA-N 426.472 4.564 10 10 IJCE Cc1ccc(CN[C@@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2381137652 IVEDHNHOUYAJOU-MRXNPFEDSA-N 439.394 4.732 10 10 IJCE CC[C@@H]1SC(=S)N(CCCCCC(=O)Nc2ncc(Cc3ccccc3)s2)C1=O 11636762 FMHMNHHEWGMRFO-KRWDZBQOSA-N 447.651 4.872 10 10 IJCE CN(C)c1ccc(CNc2ccc(Br)c(I)c2)cc1 311718363 LMNSUSHZOKYXJM-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(OCCNCc2cc(Br)ccc2O)c1 312186211 OYTHZZBEKCYSTR-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE COC[C@@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccccc1 756702689 CNAFBDCRGHEMJY-MEDUHNTESA-N 429.152 4.956 10 10 IJCE Cc1ccnc(C2CCN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)CC2)n1 799994828 GLBLOKANAWKIMI-KRWDZBQOSA-N 442.007 4.764 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)ccc1OC 1858590117 XWQRZODKLIDMJY-WOJGMQOQSA-N 434.627 4.604 10 10 IJCE Cc1cc(C)c2c(C)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1 1859706795 BCHGUUCQOOEZQH-UHFFFAOYSA-N 437.451 4.746 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1O 1860085117 OJKCIDLDVHURJC-LZYBPNLTSA-N 436.898 4.758 10 10 IJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCCCOc1ccccc1 2297463077 BUYCAJNFWMFHDV-UHFFFAOYSA-N 448.906 4.649 10 10 IJCE Cc1ccc(CN[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352692681 MFKTYEZOKHVZBR-HZPDHXFCSA-N 427.383 4.779 10 10 IJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 2232714 QJVJQIMFLLKVTC-UXYFDLPDSA-N 433.291 4.879 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226634398 MFUBXMYYKKIRMB-STSQHVNTSA-N 434.536 4.775 10 10 IJCE C[C@@H](Nc1ccc(I)cc1Br)c1c(O)cccc1O 311610373 DVUJQWLQPAXHIT-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cc(O)nc3ccccc23)cc1 754377709 BVBKDJBEVYMCAZ-UHFFFAOYSA-N 430.508 4.511 10 10 IJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)oc2ccc(Cl)cc12 1859707298 OZVXKGGRFMXQFL-UHFFFAOYSA-N 443.842 4.783 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1867973311 PMMROJOONVTGTJ-OAQYLSRUSA-N 443.595 4.858 10 10 IJCE COCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168423 VAKYBBYBBWWRTH-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(C(C)C)C2=O)cc1 1873423298 BELSANOLQRFYNL-UHFFFAOYSA-N 439.519 4.571 10 10 IJCE Cc1cc(OC(C)C)ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1891970726 NSCXAGDGKVJUPT-UHFFFAOYSA-N 433.511 4.615 10 10 IJCE Cc1ccc(CN[C@H]2CCC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(O)c1Br 2381130659 BYXIUVJTDXIOPB-YESZJQIVSA-N 439.394 4.873 10 10 IJCE O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCOCC1 14548052 QYDJJZAFCIWBNM-KCPMXOJXSA-N 426.516 4.844 10 10 IJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)cc1 33334154 IWNZDTHYJGZOCW-KGENOOAVSA-N 444.443 4.628 10 10 IJCE C[C@@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312432416 BHKXHOKOVYVHOW-GOSISDBHSA-N 428.418 4.961 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526573220 VAKHSKACAWSILF-HSZRJFAPSA-N 448.450 4.643 10 10 IJCE CCN(CC)c1ccc(CNC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1F 731347202 QDKUTAGGIGAAAT-UHFFFAOYSA-N 425.504 4.585 10 10 IJCE CC(=O)N1CC[C@](C)(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)C1 1124275817 AWFCZDCQBYVPAN-DEOSSOPVSA-N 436.581 4.723 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1620607274 METHIQKQNXZMHW-KRWDZBQOSA-N 442.531 4.828 10 10 IJCE CC1(C)CC(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)CC(C)(C)N1 1858590050 VLRLJKFVBYSBJX-OQLLNIDSSA-N 439.444 4.960 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)/C(=C\c4ccc(O)cc4)SC3=S)ccc21 1860086691 AYMCXJNVWAJTRG-RGVLZGJSSA-N 443.505 4.573 10 10 IJCE Cc1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cc(Cl)ccc2n1 1866271347 PATCTQMFSKJDGS-QFIPXVFZSA-N 433.943 4.516 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873167093 RMYQPXYYHKAONK-HXUWFJFHSA-N 427.548 4.933 10 10 IJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422031 CBNGMXPSDIBKPJ-UHFFFAOYSA-N 439.515 4.651 10 10 IJCE CCNCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163334585 NBIKGILPGDMFLL-HSZRJFAPSA-N 428.418 4.661 10 10 IJCE CC(C)(C)OC(=O)Nc1ccccc1OCCNCc1c(O)cccc1Br 2183230761 IFODXLPPQTXBSQ-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 2293453488 YEGKEVSZCDBKQC-UHFFFAOYSA-N 435.954 4.767 10 10 IJCE CCOc1ccc(C=C2SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 2293497279 JSUMBMMQVQKWMV-UHFFFAOYSA-N 441.984 4.840 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1N1CCCC1 2294288625 HIEOQBQDZHHMLD-UHFFFAOYSA-N 444.318 4.568 10 10 IJCE COc1ccccc1NCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2297321801 QWSMVGJKFHYZAO-UHFFFAOYSA-N 435.368 4.729 10 10 IJCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 2321646928 KOVOAKUKSQOJJM-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c1 2321717990 DPRHURDUHUAZPM-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099553 FYGGLPNTWDKSGB-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1cc(C(F)(F)F)ccc1Cl 1151440 MRAUTGYBSSEICN-VZUCSPMQSA-N 438.745 4.594 10 10 IJCE CCc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)[C@@H](CC)SC3=S)s2)cc1 11636335 OJNMRGKGBXOPEI-QGZVFWFLSA-N 447.651 4.654 10 10 IJCE O=C1Nc2ccc(Br)cc2/C1=C1/C(=O)N(Cc2ccccc2)c2ccccc21 34234684 SWZUARMHEMRHGN-MRCUWXFGSA-N 431.289 4.859 10 10 IJCE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3)o2)SC1=S 103040378 BKQPGTLVQABRKZ-JIHKLPAASA-N 431.535 4.800 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cccc2ccccc12 205947935 KTTUBOUFYKENPP-LFVJCYFKSA-N 429.476 4.500 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2[nH]ccc2c1O 687755765 IOVXBLUVRWUKSA-QHCPKHFHSA-N 442.471 4.928 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C 1084057779 UKQLVUKLHZBMSJ-WOJGMQOQSA-N 430.507 4.796 10 10 IJCE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C#N)C1 1705786463 OOWVDEVHFLBHCZ-QFIPXVFZSA-N 444.583 4.684 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccccc1Cl 1857997639 IBXXMJVPMKVCQQ-UHFFFAOYSA-N 449.891 4.763 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 1865672809 MAMLETJSUIEROQ-PXLXIMEGSA-N 446.478 4.682 10 10 IJCE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)CC1=O 1865922217 JCNIXOPCCYXLPX-IBGZPJMESA-N 429.520 4.924 10 10 IJCE CC(C)NCc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)c(Br)c1 1915032677 ANSINIANXUHXKY-UHFFFAOYSA-N 427.390 4.828 10 10 IJCE Nc1cccc(Br)c1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 1999119063 RINHDWYKJSSBTG-AYOQOUSVSA-N 430.346 4.633 10 10 IJCE Cc1ccc([C@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079051397 DOLGNSGMJUKYQL-AWEZNQCLSA-N 449.283 4.534 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(Br)c1 2160684338 XCDWYUCWFPTTEL-SFTDATJTSA-N 428.418 4.658 10 10 IJCE CN1CCc2cc([C@H](O)c3cc(Br)cc(NC(=O)OC(C)(C)C)c3)ccc21 2163064203 TVDRQERXDBHWAO-IBGZPJMESA-N 433.346 4.870 10 10 IJCE NCc1cc(F)c(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163326368 MSERMRWVLRHYCE-QFIPXVFZSA-N 432.381 4.539 10 10 IJCE CC[C@H](NC[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2205648136 GHPFHVNHMGJXRO-DHXZDTOLSA-N 439.394 4.841 10 10 IJCE COc1ccc([C@H](C)Nc2ccc(Br)cc2I)c(O)c1 2240323466 POTMGFNEQDVMAL-VIFPVBQESA-N 448.098 4.941 10 10 IJCE CC[C@H](C)N1C(=O)C(=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 2296730231 KQBJDCVCFROSHS-ZDUSSCGKSA-N 442.518 4.814 10 10 IJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 2297314532 ARSKNQKSDJVSIO-UHFFFAOYSA-N 425.897 4.575 10 10 IJCE CCc1ccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1 2297347227 JHYDUPGJWNHSED-UHFFFAOYSA-N 429.563 4.594 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1O 2297366058 BFXDCYWGXMZOPH-UHFFFAOYSA-N 436.352 4.565 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 20752280 GVEMRVDDAMXAFQ-IPVFLDMMSA-N 426.516 4.844 10 10 IJCE COc1ccc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)cc34)CC2)cc1 96204286 NRWOIYYWGPBCJM-UHFFFAOYSA-N 430.577 4.926 10 10 IJCE C/C(=C/c1ccncc1)C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1463210712 XHJAJMIBLCYYQH-OWBHPGMISA-N 434.297 4.596 10 10 IJCE O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccc(I)cc1 1860074677 CEYNLCKZONZKAZ-KPKJPENVSA-N 429.329 4.759 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N(C)c2ccccc2)sc(C)c1-c1ccc(F)cc1 1860746857 HVZGMZFVENQREF-UHFFFAOYSA-N 440.496 4.641 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865650066 SZSBYLLIBGZEOG-UDWIEESQSA-N 434.879 4.590 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)cc1 1891529462 GOWVXQGMUGKUBV-UHFFFAOYSA-N 432.364 4.695 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3c(O)cccc3Br)CCC[C@@H]12 2165301285 IGPQKWDGZVHVFV-WIYYLYMNSA-N 439.394 4.814 10 10 IJCE CC[C@H](NC[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(Br)ccc1O 2203634154 JEXGPYLAFGJSCY-HPBDAGMYSA-N 439.394 4.698 10 10 IJCE O=C1C(=Cc2ccc(I)o2)SC(=S)N1c1cccc(Cl)c1 2297297236 SPPZOHACBFAUOZ-UHFFFAOYSA-N 447.706 4.943 10 10 IJCE CC(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 2321683420 HPXMXICFCFTYMB-UHFFFAOYSA-N 437.634 4.968 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c(O)c1Br 2352685454 FIDJBDLPTVYQDK-WMLDXEAASA-N 427.383 4.587 10 10 IJCE C[C@@H]1CCCN(c2cc(NCCN3CCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1 9641197 YQNFBOAFCQPWRF-QGZVFWFLSA-N 430.552 4.783 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15047486 BMMUCTNDIJPWGX-WVECVHPGSA-N 438.574 4.870 10 10 IJCE COc1ccc(CN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 17095420 RHDAKORMRNFELT-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE CCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 40938706 MGMUFRMEUOHCJP-HKWRFOASSA-N 441.574 4.810 10 10 IJCE CCCCOc1ccc(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 108427838 LEUAWSPMHWKYNJ-RIYZIHGNSA-N 438.568 4.635 10 10 IJCE C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1677301238 XOHPZYCZFZVZGI-SSQSTSFJSA-N 425.548 4.684 10 10 IJCE COc1ccc(N2CCN(c3nc(C)c(-c4ccc(Cl)c(Cl)c4)c(O)n3)CC2)cc1 1858507876 NHTCFEKRZXKIAY-UHFFFAOYSA-N 445.350 4.800 10 10 IJCE COc1ccc(-c2nc(=Nc3cccc4c3C(=O)c3ccccc3C4=O)c3c([nH]2)CCC3)cc1 1859832608 CIPULSWXBRKBFS-UHFFFAOYSA-N 447.494 4.582 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2F)sc(C)c1-c1ccccc1 1860747271 BTCRJUHZERAHNH-UHFFFAOYSA-N 426.469 4.617 10 10 IJCE COc1cc(Br)cc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)c1O 1865672336 XKAFYGOCLPBYLE-LZYBPNLTSA-N 435.705 4.618 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 1962885148 UMWMQXNLIUELNM-IUODEOHRSA-N 447.801 4.981 10 10 IJCE CCN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029553170 MSGKUSVFPAJROI-QHCPKHFHSA-N 439.600 4.602 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNCc2cc(Cl)cc(Br)c2O)C1 2050368932 IXOHNGBLZHEBFY-YEORSEQZSA-N 433.774 4.591 10 10 IJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c1 2294277075 WWIRNQBRUYYGRR-UHFFFAOYSA-N 443.572 4.851 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134793 LFBWYVYUROWXEV-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140653 ZERBOSNPHSWQQQ-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE COc1cc(C=C2SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 2318684253 WCTPSYHSLOPERQ-UHFFFAOYSA-N 445.606 4.882 10 10 IJCE COc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/SC(=S)N(C)C2=O)c1 33447918 AAMGLNUFIBQCPK-LDADJPATSA-N 435.954 4.637 10 10 IJCE CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)c1 34201552 GEDUULMASMSLQU-KGENOOAVSA-N 444.443 4.628 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)c1 54620872 YMKKUTQHZSAMLK-HSZRJFAPSA-N 432.476 4.928 10 10 IJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C1CC1 208733564 DHARVJGOKODZRZ-FMQZQXMHSA-N 434.348 4.578 10 10 IJCE Cc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)sc2c1 208739270 WPZNAJZEKUPWQH-RIYZIHGNSA-N 431.589 4.506 10 10 IJCE CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 802610001 PLOXQFDSEPDZFP-UHFFFAOYSA-N 437.565 4.648 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1O 1653577316 BLEHAHNINRZFII-OAHLLOKOSA-N 429.879 4.817 10 10 IJCE COC(=O)c1c(NC(=O)c2sc3nnc(C)n3c2C)sc(C)c1-c1ccc(C)cc1 1860768422 LRGMHBDCDSMMQK-UHFFFAOYSA-N 440.550 4.792 10 10 IJCE CN1CCc2cc([C@@H](O)c3cc(NC(=O)OC(C)(C)C)ccc3Br)ccc21 2163068525 INELDHPVNSWTBL-LJQANCHMSA-N 433.346 4.870 10 10 IJCE NCc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163304810 FHGAJFLUHYAJRR-QFIPXVFZSA-N 432.381 4.539 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188883094 GQHMDDCKHSFSBF-BOCKYXSRSA-N 428.418 4.830 10 10 IJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C1CCCCC1 2294216837 GHPSWXBCDQINGO-UHFFFAOYSA-N 425.529 4.581 10 10 IJCE CN(C1=NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1)c1ccccc1C(=O)O 2314556917 BZCFVPMOHWINEC-UHFFFAOYSA-N 449.444 4.660 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)cc2)SC1=S 2314760395 IVJIGSDSXNQFKF-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](CC)C(=O)O)cc3)SC2=S)cc1 2314929034 GFUTWSQLBAIDBN-GOSISDBHSA-N 443.546 4.733 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1CCc1ccc(O)cc1 2323675435 MJQXEDVWGQBZSA-UHFFFAOYSA-N 438.343 4.738 10 10 IJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141026 CNNMWMPTGHNNFA-UHFFFAOYSA-N 441.871 4.601 10 10 IJCE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 12381689 MDSONVLEFKVVKU-QJOMJCCJSA-N 440.499 4.665 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 16911879 NPAMCAGGVUVOPQ-XDHOZWIPSA-N 443.546 4.571 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCc2ccccc2)cc1 103826148 JTGPGVRRGXZKTO-CAPFRKAQSA-N 440.528 4.730 10 10 IJCE COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1 254754897 VCNJYUUQDSPFAO-MRXNPFEDSA-N 433.464 4.678 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 380692881 MFOYJHNJOUFROX-JRGCBEDISA-N 428.418 4.688 10 10 IJCE C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382590965 ACVQPMNPJJBVQM-SECOEOQKSA-N 429.358 4.648 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526262726 ZHJZOOLIXWIMAX-DEOSSOPVSA-N 445.471 4.756 10 10 IJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c2)CC1 1567652861 USDLFNWVCASINX-UHFFFAOYSA-N 444.579 4.632 10 10 IJCE Brc1cc(CNCCc2ccnn2-c2ccccc2)ccc1N1CCCCC1 1658018481 XQWGDNPTLHALIR-UHFFFAOYSA-N 439.401 4.957 10 10 IJCE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCSc1nccs1 1705501583 KIWDKWPSMPJVHD-OAHLLOKOSA-N 448.017 4.607 10 10 IJCE CC(C)N(C(=O)c1cncc(Br)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859891894 RGERRPIELJLDIF-UHFFFAOYSA-N 449.304 4.675 10 10 IJCE CCCCCCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1860602395 GXVOHPFOQVFYLR-UHFFFAOYSA-N 446.547 4.610 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc(OC)c1O 1865677887 IOFNMBZWWAFGCI-UNOMPAQXSA-N 448.906 4.893 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 1866022389 WXBZQIWJXJZWPJ-UHFFFAOYSA-N 439.493 4.737 10 10 IJCE COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2O)sc(C)c1-c1ccc(C)cc1 1866176392 JLRZYBNWHHDUQC-UHFFFAOYSA-N 426.450 4.685 10 10 IJCE CC(C)NCc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)cc1Br 1915046545 YTPXJIMRFYKLNE-UHFFFAOYSA-N 427.390 4.828 10 10 IJCE C[C@@H](NCc1cc(Br)cc(F)c1O)c1csc(NC(=O)OC(C)(C)C)n1 2114319325 OJJXZSJUMSVHBA-SECBINFHSA-N 446.342 4.948 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)cc1Br 2151099790 VQFSNDSOQQAQMP-GAJHUEQPSA-N 429.402 4.993 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)c(Br)c1 2153344392 VFMCLWQJUSIJTE-UHFFFAOYSA-N 428.418 4.804 10 10 IJCE CC[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2174312166 BETZHWFSXCWYFV-PAYONLEZSA-N 439.394 4.983 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2313631562 QVXQDLBOCDJDLG-UHFFFAOYSA-N 445.494 4.623 10 10 IJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15045618 NFWOJBPJWVLYEO-NJPLLEPOSA-N 432.954 4.582 10 10 IJCE COC(=O)C(C)(C)[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 767141092 OIKIPNYXOGHGKH-HSZRJFAPSA-N 437.584 4.759 10 10 IJCE Cc1c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 801796952 VDQHIDPZPSWVCP-AWEZNQCLSA-N 446.477 4.602 10 10 IJCE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1634023056 VBOIGYLXOLTNOD-AEFFLSMTSA-N 437.971 4.708 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1 1858587192 PRFAZHAHMMPSHV-LTGZKZEYSA-N 442.606 4.822 10 10 IJCE CCCN[C@@H](C)c1ccc(N(C)C[C@@H](O)COCc2ccccc2)c(Br)c1 1916381812 LOYCREQRZHNOFK-FXAWDEMLSA-N 435.406 4.524 10 10 IJCE CC[C@@H](NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1cc(Br)ccc1O 2092545056 PCEJVODXOPOKPU-NVXWUHKLSA-N 427.383 4.841 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262757 WTKDBSUPOAEKSZ-ZNLUXHQJSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3cccc(Br)c3O)CCC[C@@H]12 2165310665 PWGGZKATDHCAMV-UTKZUKDTSA-N 439.394 4.814 10 10 IJCE N=C1C(=Cc2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 2297498720 RMIMKHXDIGDLAA-UHFFFAOYSA-N 445.729 4.770 10 10 IJCE O=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccccc1F 33316805 TZTYJKGZZICJIV-VBKFSLOCSA-N 425.872 4.941 10 10 IJCE CCCCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3C)CC2)=NC1=O 33429904 GMGNRZUOEVFOGE-NKFKGCMQSA-N 435.593 4.966 10 10 IJCE CC1(C)OC(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)O1 96565248 VYAZSPMYBLSJBE-UHFFFAOYSA-N 425.868 4.593 10 10 IJCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2I)C1 701275587 NUNDOEKVXTZYSP-MRVPVSSYSA-N 425.057 4.513 10 10 IJCE Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860344999 MINOKDFJSFQEEP-UHFFFAOYSA-N 434.499 4.521 10 10 IJCE CC(C)=CCOc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871060054 JZZPPJWLZPESQP-FQEVSTJZSA-N 433.552 4.930 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(C3CCCC3)C2=O)cc1 1873165938 XMBSMZMPHUGCSV-UHFFFAOYSA-N 449.595 4.521 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N3CC4(CC(OCc5ccccc5)C4)C3)ccc(N)c2C1 2108803636 PDHGYONTRWBVLD-UHFFFAOYSA-N 449.595 4.748 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148938797 LAKKAWZMIPWLAX-YFVAEKQCSA-N 428.418 4.817 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1Br 2151263826 WDKFXHWODXCSJN-ZBYYUNFXSA-N 428.418 4.800 10 10 IJCE OCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163264918 XNCWXIZTILZUTP-QHCPKHFHSA-N 429.402 4.824 10 10 IJCE COc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)c1O 2332097769 AYLQQPCVJNJZSJ-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE CCOc1c(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cccc1OC 2332117495 NRTVZYDILBJKPO-UHFFFAOYSA-N 428.488 4.937 10 10 IJCE CC[C@H](NC[C@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(Br)ccc1O 2358100335 JEXGPYLAFGJSCY-DKIMLUQUSA-N 439.394 4.698 10 10 IJCE Cc1ccc(CN2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1Br 2380789817 MORKFHTUBXBRIL-QGZVFWFLSA-N 443.307 4.712 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644894 SHIVJBOUCJGQNX-LXGSUHORSA-N 425.598 4.656 10 10 IJCE CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469109 ZWZDGFFOLZEJFV-JXQFQVJHSA-N 434.536 4.977 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Cl)cc1 20236326 FUTFITPKMAYNIU-LWCDXBROSA-N 437.883 4.768 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)o1 33411485 XHDROLGXHUVSER-PTNGSMBKSA-N 446.301 4.703 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 35624031 QUMRRQCCLPJRLD-GRSHGNNSSA-N 444.597 4.502 10 10 IJCE Cc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 39919430 KIASUZVBTAYFQS-JOCHJYFZSA-N 434.927 4.626 10 10 IJCE CC(C)(C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(Br)c1 312259555 KTSXWNNQSRDPOG-UXHICEINSA-N 428.418 4.800 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526399288 XPEOUCFXFNQILW-XMMPIXPASA-N 447.487 4.871 10 10 IJCE O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Oc2cccc(Cl)c2)cc1 731178226 LRRKKIIERLXAOP-UHFFFAOYSA-N 444.940 4.770 10 10 IJCE COc1cc(N2N=C(C)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Cl 1084637585 NRYULAFSVUBTKD-DEDYPNTBSA-N 449.942 4.929 10 10 IJCE Brc1cc(CNc2ccc(Cn3cncn3)cc2)ccc1N1CCCCC1 1650712120 XTHATINGSPFMFO-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)c1O 1653150438 JKEJKOWLANGVSX-OAHLLOKOSA-N 428.504 4.880 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cc2ccncc2)cc1 1860085887 RGICOQQCYHHEPG-FYJGNVAPSA-N 432.526 4.807 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1865954218 RRXSJKWNLFVQAT-HSZRJFAPSA-N 442.003 4.712 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn21 1873968847 OIVSVZXDUCCQOY-UHFFFAOYSA-N 445.818 4.529 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNCc2cc(Br)cc(F)c2O)C1 1966030500 UGGNRHFAPLQCDG-AWEZNQCLSA-N 445.373 4.667 10 10 IJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044756096 HSXLPTBQCKALNA-BJKOFHAPSA-N 439.600 4.657 10 10 IJCE Oc1cc(Br)ccc1CNCc1c(Br)cccc1Br 2094132937 BBJBDRPSPNFEFS-UHFFFAOYSA-N 449.968 4.970 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)cc1C 2297347304 ZGOCTRUGMRWTFT-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2314650413 FPBPOJHSQCBZBP-SECBINFHSA-N 427.425 4.640 10 10 IJCE COc1ccc(OCCN2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1 2323719018 DBVVBAKKOVEYST-UHFFFAOYSA-N 439.480 4.994 10 10 IJCE COC(=O)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 2332134752 GIELFABWJAQSFU-UHFFFAOYSA-N 446.890 4.970 10 10 IJCE Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)c(O)c1Br 2380792962 NJEUZUSGBNRLND-UHFFFAOYSA-N 429.402 4.951 10 10 IJCE COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1Cl 33409593 WTIZLRFDGSORGI-SDQBBNPISA-N 425.268 4.813 10 10 IJCE O=C1c2ccccc2C(=O)C1(Cc1ccccc1)c1ccc(I)cc1 59518008 GLDPUNXPTLGHRJ-UHFFFAOYSA-N 438.264 4.851 10 10 IJCE O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/C(Cl)=C\c1ccccc1 139664346 BDSFDYJKSPUQOL-YCJXTATNSA-N 427.932 4.741 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526406925 PLQCCRSNLMSIIZ-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE CCN(CC)c1ccc(CNC(=O)c2cc(O)nc3ccc(Br)cc23)cc1F 737844930 UOFUERHSDBSZQO-UHFFFAOYSA-N 446.320 4.618 10 10 IJCE O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 741284585 MNWKIKBLFHCHOD-YTQUADARSA-N 435.442 4.602 10 10 IJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cc(C)on1 1705525867 XIFZXXYKZUMVMN-UHFFFAOYSA-N 428.540 4.699 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675754 YJWJFOBVQKGQQO-KGENOOAVSA-N 432.863 4.881 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)CC2)cc1 1872884526 WVCJWXUCEJPCTF-UHFFFAOYSA-N 449.982 4.601 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1O 1951773468 RIUOHCHBABCYBX-QFIPXVFZSA-N 435.476 4.804 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2cc(Br)ccc2O)C1 2100260025 SSIZYZPOHQFHFL-RHSMWYFYSA-N 427.383 4.718 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CNC3CC3)c(Br)c2)C1 2169161412 DBTIOVZTEYRHQG-JOCHJYFZSA-N 428.418 4.802 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831175 FARYMTLUGKBVKO-UHFFFAOYSA-N 445.522 4.588 10 10 IJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836682 IMHWDEMWIINLMK-MRVPVSSYSA-N 444.390 4.678 10 10 IJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 4209179 FMZRYRXREQLOJY-STZFKDTASA-N 432.863 4.585 10 10 IJCE COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1c(C)cccc1C 33430087 GBANYPVWPUQDQV-RGEXLXHISA-N 443.590 4.991 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 59109512 ZJHWCNKRAVBTHO-ATVHPVEESA-N 443.297 4.504 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 226736864 XXIHIYARXAXGGF-HYFFOGBASA-N 439.899 4.547 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2 226845836 ZAWOZOGEWIXLGC-RNHFSVANSA-N 432.545 4.697 10 10 IJCE CC(=O)c1c(C)cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C 1477047425 FIAIXRNICVPHIX-IAGOWNOFSA-N 427.520 4.580 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1860087009 VMZNIRWABNPNHV-HMMYKYKNSA-N 436.606 4.853 10 10 IJCE O=C(O)c1c2c(nc3ccccc13)C(=Cc1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2 2053511219 KBHBPOSLNAYQPA-UHFFFAOYSA-N 445.475 4.555 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260783 GSRIGMRQRMXRMC-LTMIRXACSA-N 428.418 4.960 10 10 IJCE CC[C@H](NC[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(Br)ccc1O 2203634153 JEXGPYLAFGJSCY-DDBAPUKQSA-N 439.394 4.698 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)Nc1nccs1 15037043 BOLDMEZJEVPWBN-ATVHPVEESA-N 437.571 4.650 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C(O)=NC2=S)cc1C 59109265 JYIMJDWFVLCEDH-COVVZGLNSA-N 437.565 4.572 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCCc3ccc(F)cc3)C2=O)cc1 205949744 PUCHZNZGZRAQSR-HKOYGPOVSA-N 429.495 4.692 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCN(C)[C@@H]3c3cccs3)ccc21 525041390 KNPFIPIAGQXAKG-RDPSFJRHSA-N 439.625 4.779 10 10 IJCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708155523 BQRPHRFHBAMRJW-ABAIWWIYSA-N 433.774 4.543 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)c1 728909083 NKYKWSBIVRWKGD-LLVKDONJSA-N 430.295 4.985 10 10 IJCE CCCN(Cc1cc(C)cc(Br)c1O)C1CCN(C(=O)c2ccccc2)CC1 781905857 QCGGMRNQMGZMHQ-UHFFFAOYSA-N 445.401 4.980 10 10 IJCE C=CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1 1565656171 RDEXATIOJGRULV-UHFFFAOYSA-N 429.520 4.733 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1 1860085666 IPKMEPOJCBEKCV-XSFVSMFZSA-N 433.514 4.986 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2c(F)cccc2F)sc(C)c1-c1ccccc1 1860747836 XQMAJIVVFYATMC-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)c1 1872884607 MJJFADOOWIWXHW-UHFFFAOYSA-N 448.998 4.981 10 10 IJCE CC(C)(C)c1nn(Cc2c(O)cccc2F)c(I)c1C(F)(F)F 2079719815 ZPLPEBAQJSOXIG-UHFFFAOYSA-N 442.194 4.697 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)S1 2296441453 OHAPAJRYHRWMNG-UHFFFAOYSA-N 427.888 4.589 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2296700168 GEGZJEMAKPWCJQ-UHFFFAOYSA-N 428.318 4.929 10 10 IJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837026 NFWOJBPJWVLYEO-GFCCVEGCSA-N 432.954 4.582 10 10 IJCE NC(=O)c1ccc(N2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1 2318757337 YQWASIIVRZGYAT-UHFFFAOYSA-N 446.553 4.770 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OCC 2321629491 YXXNFYPRUCQNHO-UHFFFAOYSA-N 443.546 4.978 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 16911931 MNLTXCSVAXVGCZ-GZTJUZNOSA-N 449.937 4.608 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccccc2F)C(=O)N=C2SC(Cc3cccs3)=NN12 32964351 VJFBBBNCICCOGU-SOPDNMILSA-N 435.509 4.540 10 10 IJCE CCN1C(=O)/C(=C\c2cc(Cl)c(OC(=O)c3cccs3)c(OC)c2)SC1=S 33660961 ZUGFVBITSLETLG-NTEUORMPSA-N 439.967 4.850 10 10 IJCE CCSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 54617036 ADHQDUAUZJUMCY-OAQYLSRUSA-N 448.596 4.692 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 708091707 XDUFKPWMCOMTIO-LJQANCHMSA-N 447.801 4.935 10 10 IJCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNCc1cc(Cl)cc(Br)c1O 721105433 DFUGPGSNIBNXKD-CHWSQXEVSA-N 447.801 4.791 10 10 IJCE CC(=O)N1CCN(c2ccc(CNc3oc(-c4ccccc4)nc3C(F)(F)F)cc2)CC1 1559184715 RURPLYIOJMQMRZ-UHFFFAOYSA-N 444.457 4.641 10 10 IJCE CC[C@H](C)N(C(=O)c1ccc2c(c1)OCO2)c1cccc2c1C(=O)c1ccccc1C2=O 1859910971 PVDKLYMANSTAOW-HNNXBMFYSA-N 427.456 4.636 10 10 IJCE Cc1ccc([C@@H](n2nc(C3CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2078993569 GTVCUXKKZISWOA-QGZVFWFLSA-N 438.309 4.827 10 10 IJCE CC1(c2nn(Cc3cc(Cl)ccc3O)c(I)c2C2CC2)CC1 2079802633 IRFDNPPEGUTAGE-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1 2080053344 IDOHULMSWLUYAX-INIZCTEOSA-N 437.334 4.745 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(CNCc2cccc(Br)c2O)CC1 2102872240 GQYVSDMYKTVIQN-UHFFFAOYSA-N 427.383 4.575 10 10 IJCE N[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCCCC3)c(Br)cc21 2152183488 ZSMDOSNHUOFSSN-NRFANRHFSA-N 428.374 4.988 10 10 IJCE CC1(C)CC[C@@H](NCc2ccc(Br)cc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155357712 NMMGMDJBNKSOHM-NVXWUHKLSA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(Br)cc2O)C(F)(F)CC1 2161226438 TZPUESYGVVFZAD-CQSZACIVSA-N 449.336 4.527 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3cc(Br)ccc3O)CCC[C@H]12 2165309592 NXLSSVBGLISTTQ-RXVVDRJESA-N 439.394 4.814 10 10 IJCE CC[C@H](NCC[C@]1(C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2225549781 FGRAQPKANNTRNZ-OXJNMPFZSA-N 427.383 4.985 10 10 IJCE O=C1C(=CC=Cc2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 2296564557 MTBVXVAMYRQPPU-FQEVSTJZSA-N 449.601 4.593 10 10 IJCE CCCOc1ccc(C=C2C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 2297307430 QDWDFJBXKYGMSE-UHFFFAOYSA-N 436.508 4.855 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)ccc1O 2332134811 MWOJZEATWYRNAI-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE Cc1ccc(CNC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(O)c1Br 2381135001 KUUQUGPPIFXOBQ-WKILWMFISA-N 441.410 4.884 10 10 IJCE COc1cccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 59378490 CTLBHSBRAMZREM-CXUHLZMHSA-N 435.368 4.729 10 10 IJCE CCC[C@]1(CNCc2cccc(Br)c2O)CCCN1C(=O)OC(C)(C)C 311742970 XWRIIXIQEBZUPL-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE CC1(C)CC[C@H](CNCc2cc(Br)cc(F)c2O)N(C(=O)OC(C)(C)C)C1 715738373 SCVRZNGTRGUPIQ-OAHLLOKOSA-N 445.373 4.809 10 10 IJCE CN1CCC[C@@H](CNC(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H]1c1cccs1 745849075 QMZVZSZSXDWNEH-FDDCHVKYSA-N 439.581 4.842 10 10 IJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C(=O)NC1=S 1084234636 DVTSSJFOXWCBSW-JCMHNJIXSA-N 435.593 4.788 10 10 IJCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 1084369802 LJWACOUDNJAVMA-HKWRFOASSA-N 444.487 4.694 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1O 1473503097 FLOMRNZALQTXQT-ROUUACIJSA-N 434.552 4.593 10 10 IJCE C/C(=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccs1 1586620541 YYMKGVYFOFTLHI-VDUFWMCCSA-N 429.586 4.600 10 10 IJCE CCOc1ccc(CCn2ccc(=O)c(OCc3ccc(N)cc3)c2CC)cc1OCC 1857913310 CQHOPCSGIFHVHE-UHFFFAOYSA-N 436.552 4.612 10 10 IJCE COc1ccccc1CN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858588915 INZBIVFHRWDONS-LZYBPNLTSA-N 438.343 4.998 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)[C@H]1C(C)(C)C 1877293157 WBNPPBYFXQKVJB-RDJZCZTQSA-N 427.383 4.668 10 10 IJCE O=C(N[C@@]1(c2c(O)cccc2Cl)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952829940 QXGRLIOMIHNSDG-CLOONOSVSA-N 449.890 4.884 10 10 IJCE CC[C@@H](N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2144841145 GAIBMYAZPFEIKE-OXXUSNJHSA-N 439.394 4.983 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260778 GSRIGMRQRMXRMC-BOCKYXSRSA-N 428.418 4.960 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cc(Br)ccn1 2234630333 TUCPLTDQZPRIJZ-UHFFFAOYSA-N 432.362 4.822 10 10 IJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 2313682586 GQEQGDXKICLEMM-UHFFFAOYSA-N 441.487 4.619 10 10 IJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837849 XOBPNROLWLPXNX-LBPRGKRZSA-N 431.608 4.669 10 10 IJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 15046819 KYEWYRJCCYOQEK-OCKNBPSPSA-N 438.574 4.870 10 10 IJCE O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 33446790 DLFNNWVTOZZIHT-LZYBPNLTSA-N 434.336 4.579 10 10 IJCE CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 33586332 YOWXUBRXSSDOKZ-PEHQALCWSA-N 437.956 4.854 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2 251347806 LWXFTLBKTRDOKY-UDQIJZATSA-N 442.581 4.607 10 10 IJCE CN1CCc2cc(CNc3ccc(Br)c(I)c3)ccc21 380043857 OFUOYWOELMQKID-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526297065 PXYFUNDCPPTYGR-QHCPKHFHSA-N 430.504 4.827 10 10 IJCE COc1ccc(C)cc1N1C(=O)C(O)=C(c2c[nH]c3ccccc23)[C@@H]1c1ccc(O)c(O)c1 526448608 XEDXKCQXODNQIF-DEOSSOPVSA-N 442.471 4.953 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705958231 RAMARHFALHFQCC-RLLQIKCJSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)NCc1ccccc1CNCc1cc(Br)cc(F)c1O 715828347 OXHVIYSZIWPSTL-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 800546358 MUTZJZIBPPJLKD-MRXNPFEDSA-N 428.964 4.881 10 10 IJCE CC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 1357976415 XEBRKZIOHKKPPU-OAQYLSRUSA-N 440.544 4.696 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1O 1643580085 CTLINEDOOSHZDS-LEWJYISDSA-N 429.944 4.806 10 10 IJCE O=C(CCc1ccccc1Br)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859873751 URCQEWIMOFGKFS-UHFFFAOYSA-N 434.289 4.796 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)/C(=C\c4cccc(O)c4)SC3=S)ccc21 1860087017 VUPYQZPDBZFKOJ-RGVLZGJSSA-N 443.505 4.573 10 10 IJCE CCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870870105 UGAPGGXLLLGSRZ-UHFFFAOYSA-N 435.524 4.556 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc(F)ccc1O 1952818730 LHARNJZDKZGIAJ-HYBUGGRVSA-N 447.462 4.928 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2078984262 QMONCRDHUNCPAV-QGZVFWFLSA-N 441.357 4.719 10 10 IJCE C[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2103298969 GYTVLYYEDQSZHI-IUODEOHRSA-N 447.801 4.933 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@H]2CCCC[C@H]21 2179392432 IFZBTZLXHHPICD-HDMKZQKVSA-N 439.394 4.670 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2c(O)cccc2Br)CCC(F)(F)CC1 2201444380 XGWDQFWVDDNGQD-UHFFFAOYSA-N 449.336 4.717 10 10 IJCE CCCCCCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 2296340341 UWYXHSPTCDBBGW-UHFFFAOYSA-N 445.563 4.682 10 10 IJCE Cc1ccc(N2C(=O)C(=C3C(=O)N(C)c4ccc(Br)cc43)SC2=S)cc1 2314717323 BPQLSXNSEAXYSU-UHFFFAOYSA-N 445.363 4.510 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 2314828073 QBVPOZKNTYSYSG-UHFFFAOYSA-N 426.563 4.530 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2c(O)cccc2Br)C[C@H]2CCCC[C@H]21 2358978149 BFEYKEJIIOEFHJ-IIDMSEBBSA-N 439.394 4.813 10 10 IJCE Cc1ccc(CN[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccco2)c(O)c1Br 2381131403 NANDABVVOKWDBN-SUMWQHHRSA-N 439.350 4.800 10 10 IJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 14473341 QBXDMJRXDFKHST-JLDZCNIISA-N 441.915 4.841 10 10 IJCE CCN(Cc1ccccc1)C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 21727998 PPOSXOMIQHIMFI-QFIPXVFZSA-N 435.593 4.870 10 10 IJCE N=C1/C(=C/c2cccn2CCOc2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12 33157355 OGOAAPDKPBVTNR-BRDBGPSPSA-N 440.528 4.871 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 83330254 XWIOHNIZKMIDJC-BKUYFWCQSA-N 436.489 4.616 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(N2CCCC2)cc1 526372970 RCEIPVAQQVIGFU-JOCHJYFZSA-N 434.517 4.817 10 10 IJCE Brc1cc(CNCc2cnn(-c3ccccc3)c2)ccc1N1CCCCC1 1656011038 IAIKBVRDIYLIJY-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)ccc1O 1860086120 LJHWBGSETHYUBG-LZYBPNLTSA-N 436.352 4.878 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873166728 FYBGQFLQRGJFDT-IBGZPJMESA-N 425.532 4.687 10 10 IJCE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 1891933751 VZEQAHITSZAZPY-UHFFFAOYSA-N 429.401 4.538 10 10 IJCE Cc1ccc(O)c(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1928775019 KXAGZLVJCAATLN-UHFFFAOYSA-N 432.520 4.651 10 10 IJCE CC1(C)CC[C@H](NCc2cc(Br)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 2155356742 HBRNDCPKKLRLJV-WBVHZDCISA-N 441.410 4.964 10 10 IJCE COc1cccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)N(C)C2=O)c1 2293601524 HFYLJKYNVRRIDA-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2OC)SC1=S 2297347770 JKRRILVIYWCISF-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099718 XIQDOGNKUZSPEE-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2)N1CCc2ccccc21 13637014 HNEIPQCQUGHJHU-UFPGJGBJSA-N 444.556 4.970 10 10 IJCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@H]43)C[C@@H]2C)cc1 504213775 GLLBRMNOAAYUEN-FJXTYPEWSA-N 438.612 4.664 10 10 IJCE biogenic COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 526417433 UHXQCFSRNLTFRQ-OAQYLSRUSA-N 441.842 4.956 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NCc2cc(Cl)cc(Br)c2O)C1 708193779 WRQBWPRNAKEBJW-BFUOFWGJSA-N 445.785 4.687 10 10 IJCE Cc1cc(-c2nnc(CCC(=O)N3CCOc4ccccc43)o2)c(C)n1-c1ccccc1 1325764123 VHFILCORRLTEKV-UHFFFAOYSA-N 428.492 4.502 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2040447814 WVXZZGALNSGPLY-UHFFFAOYSA-N 430.532 4.622 10 10 IJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(F)F 2079588316 FWOKJQDRIKBVJZ-UHFFFAOYSA-N 432.130 4.506 10 10 IJCE COc1ccc(Cn2nc(C(C)C)c(C3CCC3)c2I)c(O)c1 2079822758 MMVFRIQURYTRGW-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE CCC[C@@]1(NCc2cccc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2101405925 RABAZHNJSOCPGH-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CC(=O)O)c(Br)c1 2143511023 WDYRYCWZXZZTCI-QGZVFWFLSA-N 429.358 4.648 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)cc1I)CCC[C@H]2O 2231445531 GLCBHCNCKKHCEY-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CC[C@H](C)NCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 2240085397 IURYBNCQHYQURN-WTOYTKOKSA-N 428.418 4.800 10 10 IJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 2293161027 OZMNMVOXTIPBIH-UHFFFAOYSA-N 448.903 4.563 10 10 IJCE O=c1c2ccccc2nc(C=Cc2cn(Cc3ccccc3)c3ccccc23)n1CCCO 2297467661 BUZHOEPRVJYIBA-UHFFFAOYSA-N 435.527 4.952 10 10 IJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl 2297499617 PVNHLDJCUXCHBA-UHFFFAOYSA-N 428.901 4.884 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cc(Cl)c(O)c(OC)c2)cc1 2332139776 QUXAUPTVGUDMLL-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE O=C(NN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)c1csc2c1CCCC2 2659137 YYDIIXBTZSDSOF-PXYULHTISA-N 426.588 4.729 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1 2700544 IHBBBGHKJJWLIC-LGMDPLHJSA-N 432.592 4.854 10 10 IJCE CCCCOc1ccc(/C=C2\SC(Nc3ccccc3C(=O)OC)=NC2=O)cc1OC 39870133 BOGQUGMOKPDTNF-ZHZULCJRSA-N 440.521 4.743 10 10 IJCE COc1ccccc1N1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S 96803841 XALLEVQQKFQVBI-CPNJWEJPSA-N 437.498 4.913 10 10 IJCE COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1 526414498 GZJSWUUQXCQURB-IBGZPJMESA-N 429.881 4.879 10 10 IJCE CCCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705618742 LLSUWSBSBPTVLK-NHCUHLMSSA-N 428.418 4.517 10 10 IJCE Cc1cccc(C(C)C)c1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769950858 BXGPIFYWEZPBBM-UHFFFAOYSA-N 430.551 4.939 10 10 IJCE O=C(c1ccc(-c2cccc(Cl)c2)nc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1631219365 UOJMSHGQJIOTKI-IBGZPJMESA-N 438.911 4.635 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1858134318 CDTFNVQWCGFPPX-QHCPKHFHSA-N 436.502 4.844 10 10 IJCE Cc1ccc(Cl)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866430037 MYSTWYNVPMFHMC-UHFFFAOYSA-N 442.858 4.518 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Cl)cc(Br)c3O)C[C@@H]2C1 1967824544 IVUMABZELWUTCG-YJYMSZOUSA-N 445.785 4.687 10 10 IJCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C(C)C)c2I)c1 2079743034 XHGVPNJEXYIDRY-UHFFFAOYSA-N 426.298 4.641 10 10 IJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 2293117067 QJVJQIMFLLKVTC-LLVKDONJSA-N 433.291 4.879 10 10 IJCE Cc1ccnc(-n2c(C)cc(C=C3SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c1 2293358580 QIAHCGBAFBEUTC-UHFFFAOYSA-N 448.504 4.942 10 10 IJCE COc1ccc(C=C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2293394479 GZYLKFYCMGURSP-UHFFFAOYSA-N 428.532 4.593 10 10 IJCE CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1OC 2313577360 HKBPCJCEYYAXQL-UHFFFAOYSA-N 442.309 4.725 10 10 IJCE COC(=O)CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(C)cc2)SC1=S 2314759901 GNMSIVOXRKAMMZ-UHFFFAOYSA-N 441.574 4.728 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314769869 WKCFAQPSYIGNSE-LJQANCHMSA-N 427.547 4.591 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccc(F)cc1 2314831866 ULJDLNBLAVXRMP-UHFFFAOYSA-N 444.553 4.932 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c1 2318753416 WIBHZOVQPWJDFZ-UHFFFAOYSA-N 428.491 4.567 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1O 2332147642 PASZCFJFRXZEHT-UHFFFAOYSA-N 428.488 4.548 10 10 IJCE O=C1N=C(O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 1138159 YNMZZAMOCHSLDF-PDGQHHTCSA-N 436.811 4.546 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[C@H]2C=CC[C@H]21 14545453 UTPKHGMCQAUDBV-YZZKKUAISA-N 426.582 4.989 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCCC4)cc3)C(O)=NC2=S)cc1 33330596 BXJPZVBCCIGFPY-PGMHBOJBSA-N 435.549 4.747 10 10 IJCE Cc1ccc2occ(/C=C/C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 170565113 WNWMJZIVSHDONC-ZRDIBKRKSA-N 435.435 4.529 10 10 IJCE CCCCOc1ccc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1OC 208349302 KYNWDVILKZSWEQ-UDWIEESQSA-N 440.521 4.963 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526295277 UENMOAZIJABSNL-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)c(O)c1 526324831 DRXMGBSYSYNJFY-HSZRJFAPSA-N 447.487 4.871 10 10 IJCE CC(C)(C)OC(=O)NC[C@H](NCc1ccc(Br)cc1O)C1CCCCC1 701016768 ZGHLFDDZBHJFNG-KRWDZBQOSA-N 427.383 4.718 10 10 IJCE Oc1c(F)cc(F)cc1CNc1ccc(Br)c(I)c1 708422375 YIBHKZYKZAKUGM-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1ccc(F)c(F)c1F 1857996764 DXYRDUKFKJSYSB-UHFFFAOYSA-N 433.361 4.979 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3OC)C2=O)cc1OC 1858588769 ACDVZIBDAUDQQT-DEDYPNTBSA-N 429.563 4.894 10 10 IJCE Cc1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345078 RVLGHZZUISGTDW-UHFFFAOYSA-N 448.526 4.912 10 10 IJCE O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(F)c(Br)cc1F 1892106555 PNYIGTSKAMXZLT-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE CC(=O)N(c1nc(C=C2SC(N3CCCCC3)=NC2=O)cs1)c1cccc(C)c1C 2040483741 HCYICDMYGWPEGF-UHFFFAOYSA-N 440.594 4.901 10 10 IJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)S1 2293757828 CUTSQKRRVNLZKW-UHFFFAOYSA-N 439.295 4.818 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 2321706255 GJHJQLIMPNAABW-UHFFFAOYSA-N 427.551 4.842 10 10 IJCE O=C(CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(Cl)cc1 15035528 MUHZSRSJSXNWJF-MFOYZWKCSA-N 427.938 4.661 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 702096079 DOOUNSPDBPWCLA-MONBJTKQSA-N 428.418 4.688 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 1865654510 WGTQRUMUKVSCNB-JJIBRWJFSA-N 427.504 4.604 10 10 IJCE CCN(c1ccc(CNC2CC2)cc1Br)[C@H]1CCN(Cc2ccccc2)C1 1915017466 FEUKMASJKOVWRN-NRFANRHFSA-N 428.418 4.802 10 10 IJCE Cc1cccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952773903 BJLWTSJNZWBIQZ-BKMJKUGQSA-N 429.472 4.539 10 10 IJCE CC(=O)N(c1cccc(Cl)c1)c1nc(C=C2SC(N3CCCCC3)=NC2=O)cs1 2040483663 DJTICZCWZFMANT-UHFFFAOYSA-N 446.985 4.937 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2103434867 ZAOPYIOFHREDGX-QKDCVEJESA-N 445.785 4.828 10 10 IJCE COc1ccc(Br)c(CNCc2cccc(NC(=O)OC(C)(C)C)c2)c1O 2236050388 FBEJHHLFZDMXPH-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE Cc1ccccc1OCC1=NN2C(=N)C(=Cc3ccc(-c4ccccc4)o3)C(=O)N=C2S1 2297500028 GEOAMSHMWUOYFJ-UHFFFAOYSA-N 442.500 4.953 10 10 IJCE CN(C)c1ccc(C=Cc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3o2)cc1Br 2313517875 RPTHUWRLYQCWBE-UHFFFAOYSA-N 433.218 4.643 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(=O)O)cc2)C1=O)C(C)=O 2314927601 HYULFSQKHXFJGL-KRWDZBQOSA-N 441.530 4.537 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccc(OC)cc2)ccc1O 2332094743 CUTBOBXENTUGTI-UHFFFAOYSA-N 446.478 4.769 10 10 IJCE Cc1ccc(CNC[C@]23CC[C@H]2CCCN3C(=O)OC(C)(C)C)c(O)c1Br 2381128762 ZJGOMSIXLPANSD-IIBYNOLFSA-N 439.394 4.732 10 10 IJCE O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(NCCN4CCCC4)c1c23 9641499 IVEFKQSZTYKRAR-UHFFFAOYSA-N 430.552 4.927 10 10 IJCE COc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1Br 96585276 RJIQKWZRXYTUNV-DHDCSXOGSA-N 429.270 4.581 10 10 IJCE CN(C)c1ccc(/C=C2\CCCC3=C2Nc2ncnn2[C@@H]3c2ccc(N(C)C)cc2)cc1 103044289 NGMMQSGAOTYTST-RALKEJGDSA-N 426.568 4.947 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526168891 JQXAHXJYFXKXKJ-XMMPIXPASA-N 447.487 4.789 10 10 IJCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 819755252 DZXSPEWMXIMHJO-UHFFFAOYSA-N 434.492 4.833 10 10 IJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1O 1648658084 PJFWDNCZACSZRB-NSISKUIASA-N 436.980 4.762 10 10 IJCE CCOc1cccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1951853328 FWKDIKOWESUELD-SANMLTNESA-N 447.487 4.629 10 10 IJCE CCN(CC)c1ccc([C@@H](O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 1999522670 CSDHRBBSUGVPQE-XZOQPEGZSA-N 428.573 4.676 10 10 IJCE CC1CCN(C2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 2296145267 ZKFMDHMPISSDAV-UHFFFAOYSA-N 437.521 4.876 10 10 IJCE O=C1C(=Cc2ccc(Br)s2)SC(=S)N1c1ccccc1[N+](=O)[O-] 2313609495 JYADOJJFUXFICM-UHFFFAOYSA-N 427.326 4.825 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099592 JXJPLXLGUUFKCP-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CC[C@@H](N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2343612456 FLMNXCRDHWTIHC-NBQZKYEYSA-N 425.367 4.737 10 10 IJCE Cc1ccc(CNCC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381137208 MFYXOCVGPRJFEX-AWEZNQCLSA-N 449.336 4.588 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 14466627 YFVIWWKOABGUEL-LZNNFJEDSA-N 444.984 4.624 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N2O1 20236390 KFKOJVMDMPOKBX-POLMPROESA-N 426.476 4.561 10 10 IJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1 20708955 FIWYGBZAJQNJPI-SNUQEOBHSA-N 434.233 4.732 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S 102445486 IXNRIYWYSIZTPV-GZTJUZNOSA-N 433.938 4.789 10 10 IJCE C[C@](Nc1ccc(Br)cc1)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094337 UHVWGMDQOYLATE-JOCHJYFZSA-N 425.326 4.841 10 10 IJCE C[C@H](Nc1cc(I)ccc1Br)c1cc(O)ccc1O 388484116 VZSZSYUOHVSSDQ-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1)c1cc(Br)ccc1O 2098976779 RWOUKJCABNWHPV-ZBFHGGJFSA-N 427.383 4.983 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 2294010966 VCMXSDXEKZCKMM-UHFFFAOYSA-N 441.509 4.686 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N2O1 2297347654 QSKFSBQESYDNBE-UHFFFAOYSA-N 437.883 4.557 10 10 IJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314837920 YICJNEDPSCAJHE-LBPRGKRZSA-N 432.954 4.582 10 10 IJCE CCOc1ncc(C=CC(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cn1 2321451148 VRSJOLMPHJSIOQ-UHFFFAOYSA-N 437.521 4.659 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)c2)c1 2321591169 XFCNVFROQSQVGJ-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2321718042 NYYVFXBAEGFOTR-UHFFFAOYSA-N 434.336 4.642 10 10 IJCE O=C(C=Cc1cccc(Br)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2329591548 YSBUSKPOGNEFJP-UHFFFAOYSA-N 432.273 4.876 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 2332115109 RLSREDYRWFCPSE-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC 2332139282 OEZZYUWDGCCRKW-UHFFFAOYSA-N 449.551 4.529 10 10 IJCE Cc1ccc(CN[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352692680 MFKTYEZOKHVZBR-HOTGVXAUSA-N 427.383 4.779 10 10 IJCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15036121 IKWOYWZOLZNZGG-BOPFTXTBSA-N 432.954 4.579 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Br)cc(Cl)c3O)C2=O)c1 38187044 IVBBJLUJUJXTOO-VGOFMYFVSA-N 449.688 4.932 10 10 IJCE CC1(C)CN(c2ccc(/C=C/C(=O)O)cc2Br)CCN1Cc1ccccc1 382624208 KTDYTQIIFUAPKE-PKNBQFBNSA-N 429.358 4.648 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O 1644504379 LLAZDCASVHXMAS-HSZRJFAPSA-N 436.980 4.861 10 10 IJCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1891977635 ZITIDDIPZHXJCK-UHFFFAOYSA-N 443.333 4.704 10 10 IJCE NCc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145261203 JRWHANOIWSFPFG-RTBURBONSA-N 432.381 4.538 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 2294025298 BGITXOZEVRZQHQ-UHFFFAOYSA-N 432.501 4.832 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 2297735021 NDPPYIKXKSFSSA-UHFFFAOYSA-N 439.587 4.835 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)cc(Br)c1O 2332110937 RLIGHVMCZLZXLC-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134823 OHLSPYQGBINPDS-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)C2(CC2)C1 2336288491 ZJVZUBZCDUGZMB-CYBMUJFWSA-N 445.785 4.545 10 10 IJCE COc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 10910375 HYNZRMMPLPPZOB-XMMPIXPASA-N 428.444 4.982 10 10 IJCE COc1cc(N2CCN(C(=O)C/C=C/c3ccc(C(C)C)cc3)CC2)cc(OC)c1OC 759222660 VBQYTMBPEVYHIJ-VOTSOKGWSA-N 438.568 4.588 10 10 IJCE Cc1cc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)ccc1[N+](=O)[O-] 1860087532 FCJWZIMLZIROMZ-VIZOYTHASA-N 430.536 4.635 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNCc1cc(Cl)cc(Br)c1O 2027283301 IQSCXTFVWXZNBF-NHYWBVRUSA-N 433.774 4.591 10 10 IJCE CC(C)(C)OC(=O)N1C[C@](C)(CNCc2ccc(Br)cc2O)CC1(C)C 2228502075 NRJUJYJXNOJAFR-FQEVSTJZSA-N 427.383 4.670 10 10 IJCE Cc1ccc(OCCOCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 2293140468 FBIKLGGGDCERBH-UHFFFAOYSA-N 449.981 4.612 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2293603151 VQVYPRIGZUHKFF-UHFFFAOYSA-N 437.858 4.553 10 10 IJCE CC(C)c1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 32964496 XBDIODVQDHCZPX-GDAHVAROSA-N 431.443 4.782 10 10 IJCE Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 33290163 GGKQJTDLGHXOOQ-UHFFFAOYSA-N 435.640 4.848 10 10 IJCE CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cccc(OC)c3O)C2)cc1 65298247 SLVGMWATYBELDI-QHCPKHFHSA-N 437.584 4.524 10 10 IJCE biogenic CC[C@H](NCc1ccc(NC(=O)C(F)(F)F)cc1)c1cc(Br)ccc1O 390189868 GZPQJHVOUADGMT-HNNXBMFYSA-N 431.252 4.896 10 10 IJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 526479783 HBLFDSAERYSPMV-HSZRJFAPSA-N 446.478 4.736 10 10 IJCE CNCc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 714995326 ZVJICNLFSDVOGH-NFBKMPQASA-N 428.418 4.659 10 10 IJCE CCC[C@]1(CNCc2cc(Br)cc(F)c2O)CCCN1C(=O)OC(C)(C)C 715713007 NGVABZKQPBAZBB-HXUWFJFHSA-N 445.373 4.953 10 10 IJCE Cc1cc(C(=O)Nc2ccc3nc(O)n(C)c3c2)c(C)n1-c1ccccc1Br 1567943294 VEJURDTWHBCLFN-UHFFFAOYSA-N 439.313 4.701 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858596588 WHRHDHLEUKZQJU-LFIBNONCSA-N 445.423 4.911 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)Nc2c(F)cccc2F)sc(C)c1-c1ccc(C)cc1 1860748508 DASQIVJJDCQPST-UHFFFAOYSA-N 444.459 4.674 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(OC)c1OC 1865667917 WMIHAFOFSXGDNP-STZFKDTASA-N 428.488 4.855 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866475661 CVMHLNRIYGTZCD-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE CCOc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)c(Br)cc1O 2293779428 DIKQMVBTYKIXIY-UHFFFAOYSA-N 440.340 4.548 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 2296881757 ZHVCCXFJTHDMMB-UHFFFAOYSA-N 436.602 4.583 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 2314828685 VKYGDCZMRUEZGL-UHFFFAOYSA-N 428.554 4.963 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)c1 2321718077 VLNFOWNYZBISEM-UHFFFAOYSA-N 443.546 4.676 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139459 IQHYZFSHFGLYOY-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE CCOC(=O)C1CCN(c2cc(NCC(C)C)c3c4c(onc24)-c2ccccc2C3=O)CC1 9641661 QGOJVOLMWOSAPG-UHFFFAOYSA-N 447.535 4.887 10 10 IJCE O=C(CNc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 11549519 BZHYPIFUDGIXOS-UHFFFAOYSA-N 447.922 4.514 10 10 IJCE O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 33337923 LQNMPNZUJWZPTI-UUASQNMZSA-N 438.299 4.723 10 10 IJCE Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 205691834 GLFKTTYQGMEODM-QGOAFFKASA-N 441.534 4.523 10 10 IJCE CC(C)NCc1ccc(N2CCN(Cc3ccccc3)C[C@H](C)C2)c(Br)c1 323526976 KJRFNHXXEHZCBC-IBGZPJMESA-N 430.434 4.905 10 10 IJCE O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)c1ccccc1 1319929171 WWIYSMFVJHNIEZ-QFIPXVFZSA-N 429.568 4.642 10 10 IJCE O=C(CCc1csc(-c2ccccn2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868173508 IGZXTTWVVOYQID-UHFFFAOYSA-N 439.496 4.552 10 10 IJCE Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)c(C)s1 1892016881 UOMNBCZXIOOUDT-UHFFFAOYSA-N 438.578 4.937 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2044747229 AXEZDBOYUPEYMH-WDJPJFJCSA-N 441.616 4.902 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080047745 IZLMDGHXAMTPDL-HNNXBMFYSA-N 429.261 4.692 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 2293104210 ZYPMCHPPMPSRHO-UHFFFAOYSA-N 429.563 4.601 10 10 IJCE CCCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(Br)ccc21 2296714408 WOXQJURSWQTXQN-UHFFFAOYSA-N 439.400 4.577 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932990 QWIOPOXSDZPWFL-AWEZNQCLSA-N 443.546 4.570 10 10 IJCE CC[C@H]1CC[C@@H](NCc2ccc(C)c(Br)c2O)CN1C(=O)OC(C)(C)C 2352945046 PZJBVJQGBCOQLG-CVEARBPZSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(O)c1Br 2380782891 UFALEXWJOWNBLT-ZRZAMGCNSA-N 429.402 4.807 10 10 IJCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)c(O)c1Br 2381128269 RGMDWAOYEJZEMZ-MRXNPFEDSA-N 439.394 4.732 10 10 IJCE Cn1c(=O)c(C(=O)C[C@H](/C=C\c2ccccc2)Nc2ccc(N)cc2)c(O)c2ccccc21 109887347 ADLYVYCXKJBESD-SZRHCGQDSA-N 439.515 4.593 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCc2cccc(OC)c2)cc1 205960393 XRAIJODGSSDAQF-JJIBRWJFSA-N 445.494 4.658 10 10 IJCE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccs1 586214821 RCVRNZBQDQVUGG-UHFFFAOYSA-N 425.531 4.519 10 10 IJCE COc1c([N+](=O)[O-])cc(N2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1Br 776807830 YIYXDZFAHYIREN-QWRGUYRKSA-N 440.250 4.845 10 10 IJCE CC(=O)N1CCN(c2ccc(CNc3nc(Cl)c(C(F)(F)F)cc3Cl)cc2)CC1 1307110327 FIUNVURPDSOFMY-UHFFFAOYSA-N 447.288 4.688 10 10 IJCE Cc1cc(=O)c(OCCOc2cccc3ccccc23)cn1CCCOc1ccc(N)cc1 1857916410 SVPJCYMYQZODJQ-UHFFFAOYSA-N 444.531 4.819 10 10 IJCE COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1 1858035525 RVMQGMQOLGDYAC-UHFFFAOYSA-N 425.506 4.514 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1OC 1858589891 OGULCYLKLLWUAS-XDHOZWIPSA-N 448.654 4.994 10 10 IJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1cccc(OC(F)(F)F)c1 1860087664 MPOKUUFMVYAUDU-CXUHLZMHSA-N 439.436 4.762 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2)sc(C)c1-c1ccccc1 1860747323 DRJZOWSVJUOOJU-UHFFFAOYSA-N 444.459 4.756 10 10 IJCE CCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870970218 VNGMCCXZFAHBGP-UHFFFAOYSA-N 448.567 4.519 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873167156 VANDOZBXCCSWJT-UHFFFAOYSA-N 439.559 4.559 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2079023160 OCZMSVBWUDABNU-INIZCTEOSA-N 438.309 4.611 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OC(=O)c1ccc(Cl)cc1Cl 2297361577 CHMALFJKIBGUAY-UHFFFAOYSA-N 440.329 4.710 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(OCC)c(OCC)c3)C2=O)ccc1O 2321733878 SIZVWIRMKBWWOC-UHFFFAOYSA-N 445.562 4.994 10 10 IJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 2332106582 JARIQNGBGAWYJF-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144690 FUUJAAQNUNIXMG-UHFFFAOYSA-N 449.850 4.797 10 10 IJCE Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C23CCC3)c(O)c1Br 2380809183 ADPMVKGVVJTQCN-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)cc1 54620651 GKDAEQPUDOTEBN-QHCPKHFHSA-N 432.476 4.928 10 10 IJCE CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)s2)n1 64769422 KVOFQNCPLQLKAR-UHFFFAOYSA-N 447.651 4.903 10 10 IJCE CC[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cc(Br)ccc1O 381657112 ZQNVMLFUNMNDNJ-XOKHGSTOSA-N 427.383 4.983 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(N2CCCC2)cc1 526372973 RCEIPVAQQVIGFU-QFIPXVFZSA-N 434.517 4.817 10 10 IJCE Cc1ccc(F)c(O)c1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687756105 SUDFLPSISBUGFY-NRFANRHFSA-N 435.451 4.894 10 10 IJCE C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)cc2F)C[C@H](C)O1 745649034 XNKTWGROCQJTGE-BZDHPDOMSA-N 429.536 4.715 10 10 IJCE CC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 1468372880 JZEBIPZRJJWDEF-UHFFFAOYSA-N 425.326 4.989 10 10 IJCE CCCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12 1614472418 HNBXDNQNJAZIOU-UWJYYQICSA-N 432.992 4.801 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675379 DWTPEPRLYSVGKH-HYARGMPZSA-N 446.890 4.877 10 10 IJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C(C)(C)C 2079630212 QWFBYGWURJZBTO-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CC3)cc2Br)[C@H](C)CN1Cc1ccccc1 2152169747 PWRDBALIFZNYPI-ZWKOTPCHSA-N 428.418 4.800 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CCC3)c(Br)c2)CCN1Cc1ccccc1 2240038579 VHGPNDRSPNHMHB-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1 2297358810 VFVZJDWYMCUYAE-UHFFFAOYSA-N 438.842 4.968 10 10 IJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2313681462 FPAGPOROENTCFL-UHFFFAOYSA-N 449.486 4.824 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 2314767792 IOFFRWKIWGYKKA-FQEVSTJZSA-N 435.526 4.876 10 10 IJCE COc1cc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 2323681325 OMMXZRKGRVCHJB-VRKREXBASA-N 433.595 4.738 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)c(Br)c1 382757984 TZWSRMUPDVSQCW-LJQANCHMSA-N 430.434 4.905 10 10 IJCE C[C@H](Nc1ccc(I)cc1Br)c1ccc(O)cc1O 388508492 IXAIHCDIJWDNIB-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526170568 DKYDEFYTQYGFLN-HSZRJFAPSA-N 447.487 4.789 10 10 IJCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 745883053 YWEIBNGCWOEZDF-JOCHJYFZSA-N 440.588 4.550 10 10 IJCE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1C 1084434249 OKLLCJKEMWZFEC-JCMHNJIXSA-N 427.504 4.720 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1O 1473637080 BKZWUPMFNCKFHM-GOSISDBHSA-N 434.552 4.593 10 10 IJCE CC1CCN(c2cccc(NC(=O)c3ccc4nc(O)n(CC(F)(F)F)c4c3)c2)CC1 1544210285 VESYVTSQBKAYJX-UHFFFAOYSA-N 432.446 4.793 10 10 IJCE CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S 1858592223 JFVQVGRUEWNBKC-COYFKBPASA-N 437.583 4.719 10 10 IJCE Cc1cc(C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)ccc1N(C)C 1859892005 SJFIUELWDOSJKB-UHFFFAOYSA-N 426.516 4.892 10 10 IJCE COc1cc(Br)cc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)c1O 1865671771 COWKJTFLCZTYNX-LZYBPNLTSA-N 435.705 4.618 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNCc1cc(Cl)cc(Br)c1O)C2 2117675573 JACZNXYZMWAHMK-PJODQICGSA-N 445.785 4.686 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 2293476786 QHBGXXFYMXTNOE-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2296509333 PBAIYIFXBGHYHV-MRVPVSSYSA-N 428.318 4.928 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1OCC 2321733849 JMTKQQGFXGUYPX-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccccc3F)N2)c1O 20764062 LYSPWHIHUMCJFB-CJFMBICVSA-N 434.467 4.881 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C(=O)N=C2S1 33424342 HOAPUOPNDAJNED-ONNBZHDSSA-N 436.493 4.543 10 10 IJCE CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 40940177 NZHWRSFPYZWYTB-YVLHZVERSA-N 432.954 4.673 10 10 IJCE COCCOC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1 54620306 DXLLGUVMTCYJCK-QHCPKHFHSA-N 432.476 4.847 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 708159234 WPWMOLSIQUZAMP-BXUZGUMPSA-N 433.774 4.591 10 10 IJCE CN1CCCc2cc([C@H](N)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044757314 WUNPBRRAQXVPBJ-XZOQPEGZSA-N 439.600 4.569 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C(=O)O)c2Br)C2(C)CC2)cc1C 2080054645 SWESNTOYDATSCQ-AWEZNQCLSA-N 429.261 4.993 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@]1(Br)CC1(F)F 2137775617 XVOAAVJUTGCNGJ-GOSISDBHSA-N 431.321 4.637 10 10 IJCE NCc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2163328665 VLMZENUEWFURMC-QHCPKHFHSA-N 428.418 4.790 10 10 IJCE COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cccc(Br)c1 2294082215 SLKVWHCVHVPJEC-AWEZNQCLSA-N 426.310 4.883 10 10 IJCE Cc1ccc(COc2cccc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c2)cc1 2296825607 AUVXTBQXMMMOHW-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE CCOc1cc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(C)C 2297624910 FILBLUFJVPLGAG-UHFFFAOYSA-N 449.334 4.888 10 10 IJCE CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1ccc(Br)cc1 2313501682 LYRMNYGYRVYYSI-UHFFFAOYSA-N 431.158 4.951 10 10 IJCE CC(=C1SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccc(Br)cc1 2314541443 LXVOQKQQDPTIPT-ZDUSSCGKSA-N 428.373 4.540 10 10 IJCE Cc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)sc2c1 2314563115 BRLNMMGLBYVWAC-UHFFFAOYSA-N 439.587 4.835 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNCc1cc(Cl)cc(Br)c1O 2330515473 JACZNXYZMWAHMK-PEYYIBSZSA-N 445.785 4.686 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2)N1CCc2ccccc21 20706932 SXYAVMGTKJWCAB-KYTVRQNUSA-N 444.556 4.970 10 10 IJCE CC1(C)CN(c2ccc(/C=C/C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382624415 LDDIYFCKWXPLQI-PKNBQFBNSA-N 429.358 4.648 10 10 IJCE Cc1nc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc2n1Cc1ccsc1 788443254 OQVZSODWAUPWNO-UHFFFAOYSA-N 432.549 4.543 10 10 IJCE Brc1cc(CNCc2cccnc2N2CCCC2)ccc1N1CCCCC1 1203090945 YMWIRSCDMVWKRT-UHFFFAOYSA-N 429.406 4.724 10 10 IJCE Brc1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)ccc1N1CCCCC1 1474669468 FCBAJDWZLPXJRA-FQEVSTJZSA-N 437.422 4.599 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 1858590482 SKEJWVHINVHFDJ-UIMCMNAESA-N 441.574 4.587 10 10 IJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865677922 KLYUTDYDOROVHM-YBFXNURJSA-N 449.850 4.797 10 10 IJCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CC(=O)O)cc1Br 1912132129 UZFLLZOQRPISJU-QGZVFWFLSA-N 429.358 4.648 10 10 IJCE Cc1nn(Cc2cc(Br)ccc2O)c(I)c1C(C)(C)C 2079617430 NTLKQYABIJPQIN-UHFFFAOYSA-N 449.130 4.610 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1Br 2080043210 RAIYTLXJNYKWKS-NSHDSACASA-N 435.240 4.773 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935569 UECWHXDCUZBRNF-CUWPLCDZSA-N 429.402 4.851 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2294353271 QZVKJVOIESJGLW-UHFFFAOYSA-N 438.911 4.714 10 10 IJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)o1 2297348078 FVXAOYQIUZWROH-UHFFFAOYSA-N 437.481 4.828 10 10 IJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1Cl 2297512175 DEPKNOMKHUUMMW-UHFFFAOYSA-N 437.668 4.663 10 10 IJCE CN1C(=O)C(=C(Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)SC1=S 2314486833 MZJNALPVVBVZTR-UHFFFAOYSA-N 436.480 4.631 10 10 IJCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 2314735870 HNMMBGNPFJUJPY-UHFFFAOYSA-N 426.563 4.720 10 10 IJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836683 IMHWDEMWIINLMK-QMMMGPOBSA-N 444.390 4.678 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccccc1Br 2321613581 OWXTXXUCZHXLFG-UHFFFAOYSA-N 427.326 4.825 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccccc2[N+](=O)[O-])cc1 2332144887 WWVKGXAOWFTTOO-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 33315647 UBUWIVVGCAIMOJ-HZHRSRAPSA-N 429.472 4.731 10 10 IJCE COc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 33897967 WRHAARRKNWIDDW-CPNJWEJPSA-N 433.439 4.749 10 10 IJCE COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 102859343 JSWAZJRAUQFPLN-LFIBNONCSA-N 438.368 4.947 10 10 IJCE Cc1ccc([C@@H](C)CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 737649422 PYEKAQNSLJWCJO-UEIJICEPSA-N 444.647 4.958 10 10 IJCE O=S(=O)(c1ccc(Br)s1)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183639 QMGAJDLQJGUPDD-HNNXBMFYSA-N 437.384 4.547 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)NC2CCCCCC2)sc(C)c1-c1ccc(C)c(C)c1 1860761152 NZNTXWGKPDYWRM-UHFFFAOYSA-N 442.581 4.904 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664134 BKYUPUKMLQTZPL-FYJGNVAPSA-N 448.906 4.893 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Oc2cccnc2)cc1 1891710818 AKTZQIFWJJPHMJ-UHFFFAOYSA-N 427.482 4.937 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)C[C@@H]2CCCC[C@@H]21 2240999431 BFEYKEJIIOEFHJ-MPGHIAIKSA-N 439.394 4.813 10 10 IJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)CCCOCc3ccccc3)cc2)CC1 2258197672 HTVWFWZFOSOYGN-DEOSSOPVSA-N 439.600 4.741 10 10 IJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 2296208144 CXCSQLNIKOZGBY-UHFFFAOYSA-N 435.483 4.539 10 10 IJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H]2C=CC[C@H]21 20713117 BWYMFACPNALWJW-PMAPCBKXSA-N 439.537 4.596 10 10 IJCE O=C(O)c1cccc(N2C(=O)/C(=C\C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 33682871 OUIDDFGOSDTAMC-ZYZIJPOESA-N 446.893 4.822 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCc2ccccc2OC)cc1 205960476 HHYODJLDCKPWSG-HKOYGPOVSA-N 427.504 4.519 10 10 IJCE Cc1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1cccc(C(C)C)c1 726948366 MJOHKJJAINSJCT-UHFFFAOYSA-N 449.517 4.891 10 10 IJCE COc1ccc(/C=C(\C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F 754246344 POKWZMPZNPOZMX-FYWRMAATSA-N 434.458 4.624 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1084011913 OATBCNATVZYGFH-JCMHNJIXSA-N 427.504 4.720 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)cccc3c2=O)sc(C)c1-c1ccccc1 1866054227 NKXKBABTMWAFQV-UHFFFAOYSA-N 448.500 4.613 10 10 IJCE CCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167200 WDOUVJUALKQZQM-UHFFFAOYSA-N 431.511 4.513 10 10 IJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cccc3c(O)cccc13)c1ccccn21 1873940568 XGAZOAYDQWGDHU-UHFFFAOYSA-N 432.435 4.826 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)cc1 1891774309 ZUPUCNLTKWXVLU-UHFFFAOYSA-N 425.326 4.573 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1Br 2080043209 RAIYTLXJNYKWKS-LLVKDONJSA-N 435.240 4.773 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2cc(Br)cc(F)c2O)CC1 2133494122 HERPYIHJEMHUTL-CABCVRRESA-N 431.346 4.609 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148939116 OIXADVREVDFAHX-MISYRCLQSA-N 428.418 4.817 10 10 IJCE CC[C@H](N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(Br)ccc1O 2149391939 FESANIPBKCGJLH-NKGKWGDASA-N 439.394 4.841 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2cc(Br)cc(F)c2O)C1 2156500125 TYBKRBJNOZFMCH-CJNGLKHVSA-N 445.373 4.857 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163306357 JSSVTHZKXYEGDV-FDDCHVKYSA-N 428.418 4.961 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1Br 2187753429 DCMIZXRJKSVGLE-LMNJBCLMSA-N 428.418 4.830 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccccc2)c1C 2294082207 QOOHRCMKUAGYPT-UHFFFAOYSA-N 426.516 4.967 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 2296398154 WXTZYOSFCQGDPH-UHFFFAOYSA-N 427.504 4.631 10 10 IJCE O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)SC(=S)N1c1ccccc1 2297351314 LIYSUJUXSIMVQO-UHFFFAOYSA-N 425.535 4.991 10 10 IJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1Cc1ccco1 33808709 BANRUSYBCNUXJL-DEDYPNTBSA-N 444.541 4.929 10 10 IJCE COc1ccccc1Nc1nc2sc(C(=O)NCc3cccc(OC)c3O)cc2s1 729858684 BBHASVMDBUPHFS-UHFFFAOYSA-N 441.534 4.754 10 10 IJCE Nc1ccc(Cc2nn(Cc3ccc(Br)cc3F)c(=O)c3ccccc23)cc1 821186321 BSYPFXOHAVWYET-UHFFFAOYSA-N 438.300 4.519 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1460661499 YJLPFYPFXDKSNI-INIZCTEOSA-N 444.959 4.952 10 10 IJCE CCn1c(O)nc2ccc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)cc21 1639533521 KYVKTVJWFUYNOZ-HNNXBMFYSA-N 426.948 4.582 10 10 IJCE CCCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccn3)N=C2C)cc1OC 1865667811 QOEXKGRYFDQCPT-LFIBNONCSA-N 444.329 4.838 10 10 IJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 1865667958 XYUAPBHTJHQIDB-WOJGMQOQSA-N 428.916 4.948 10 10 IJCE COC(=O)c1c(NC(=O)CCCCC(=O)N2CCCC2)sc(C)c1-c1ccc(C)cc1 1866190381 WMYDNSPHSUKKMO-UHFFFAOYSA-N 442.581 4.940 10 10 IJCE COc1ccc(Cl)cc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1873938750 DGOCRFOXSYWQCZ-UHFFFAOYSA-N 430.847 4.629 10 10 IJCE O=C(N[C@]1(c2c(O)c(Cl)cc(Cl)c2Cl)C[C@@H]1C(=O)O)OCc1ccccc1 1952761731 SDCNJOSLPXPDNH-MLCYQJTMSA-N 430.671 4.579 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2103434866 ZAOPYIOFHREDGX-QDMKHBRRSA-N 445.785 4.828 10 10 IJCE CC[C@@H]1CN(c2ccc(CNC3CC3)cc2Br)CCN1Cc1ccccc1 2152168841 LRKQESHRBQQVRW-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE CNCc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163305220 CIJLTAXOXFEEPE-HSZRJFAPSA-N 428.418 4.661 10 10 IJCE COc1ccc(Br)c(CNc2cc(I)ccc2C)c1O 2236050991 MYZGIYBCERQLFJ-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OC)c1 2293131237 OQPZFDDTQGUCIY-UHFFFAOYSA-N 449.547 4.993 10 10 IJCE CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(C(N)=S)[C@@H]3c2ccc(N(C)C)cc2)cc1 2296887385 MVHSLZMRKZFDTM-ISKFKSNPSA-N 433.625 4.659 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 2321697689 CIRJZMXJHBGWTC-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE Cc1ccc(CNC2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(O)c1Br 2381127584 JKXUGYDEMQJBMT-UHFFFAOYSA-N 439.394 4.732 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(C)(C)C)c(O)c1Br 2381143894 VUJYAXCVOJVYKN-MAUKXSAKSA-N 441.410 4.977 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)ccc1OCC(=O)O 16915707 MGXKDJHYHJPNPG-XDHOZWIPSA-N 443.546 4.517 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)c(OC)c1 20071011 ZFCBJIGQOCQXBZ-CPJSRVTESA-N 432.476 4.660 10 10 IJCE COc1cccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)c1 20071346 SOZUXTOOUCMDTD-PXDATVDWSA-N 432.476 4.660 10 10 IJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1Cl 20289410 FLFCCOXYPXUDEB-XDHOZWIPSA-N 432.376 4.782 10 10 IJCE CC(C)Oc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 33706691 ISRUMVYLGYNCEH-STZFKDTASA-N 441.984 4.920 10 10 IJCE O=C(O)CN1C(=O)/C(=C\c2ccc(Sc3cccc4ccccc34)o2)SC1=S 96475769 OKIVLWUDWSKPSJ-MHWRWJLKSA-N 427.528 4.870 10 10 IJCE CCOC(=O)c1c(NC(=O)c2ccc(NC(N)=O)cc2)sc(C)c1-c1ccc(F)cc1 586634989 JDRUYIZMYMZCTG-UHFFFAOYSA-N 441.484 4.782 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC)c1cc(Br)ccc1O 704629039 KFYMKBADNKVEEG-BBWFWOEESA-N 427.383 4.983 10 10 IJCE COc1cc([N+](=O)[O-])c(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1SC 728513620 BSBUOOYGFFGOQW-UHFFFAOYSA-N 439.537 4.705 10 10 IJCE Cc1cc(C(=O)Cn2c(O)nnc2-c2ccccn2)c(C)n1-c1ccc(Cl)c(Cl)c1 1652826152 QBAMIWJPCAKUKQ-UHFFFAOYSA-N 442.306 4.643 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccncc1 1858589294 VHJUFIPIMREURL-AWNIVKPZSA-N 441.759 4.605 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1OCC 1858591964 DQQYRHONQVQAJK-GYZOOYGHSA-N 437.583 4.575 10 10 IJCE CC(C)Oc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1 1860883105 AWSOUEHFZUCELB-UHFFFAOYSA-N 445.563 4.651 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(C)cccc3c2=O)sc(C)c1-c1ccccc1 1866069697 GFEJBEXMBSUXRH-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE O=C(O)C[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951963041 PVWNOLMJTRRLFU-KRWDZBQOSA-N 447.487 4.585 10 10 IJCE OCc1ccc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163260007 IYQWNTDWRFVCNQ-HSZRJFAPSA-N 429.402 4.824 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)C2(CCC2)C1 2264443279 WXDBQOQJAUPVES-HNNXBMFYSA-N 445.785 4.687 10 10 IJCE COc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2296755587 OGUBFOGHNMHPGL-UHFFFAOYSA-N 426.563 4.624 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 2297329605 NUVNVFJFPNFBMF-UHFFFAOYSA-N 426.607 4.985 10 10 IJCE Cc1ccc(CN[C@H]2CCC(C)(C)N(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352941204 OANUNOLJCHTOFS-HNNXBMFYSA-N 427.383 4.731 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 2899790 LVTHTCJJKUQDAE-XDHOZWIPSA-N 447.403 4.679 10 10 IJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 33409602 XGZAETIIGXZVSC-AQTBWJFISA-N 445.997 4.732 10 10 IJCE CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 96505868 NFQTZPSMJBWFJB-UKTHLTGXSA-N 427.456 4.521 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)Nc2ccccn2)cc1 205963462 BNACWTDJXOMKMT-RCCKNPSSSA-N 441.516 4.837 10 10 IJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526215603 XUOBNDVXHLXZLP-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CNCc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 714993572 SOVLRPXQFITAKG-IRLDBZIGSA-N 428.418 4.659 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)[C@@H]1C[C@@H]1C 1624790006 ZCWFOZXVENMFGL-MRDQGFSESA-N 443.547 4.849 10 10 IJCE CC(=O)c1cc(F)cc(CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1O 1647901672 YVXFUVGPEABSEU-UHFFFAOYSA-N 425.479 4.643 10 10 IJCE COc1ccc(N2CCN(C(=O)[C@@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1858121143 XBUNFVFBNSXKBL-OAQYLSRUSA-N 431.374 4.546 10 10 IJCE CC[C@H](C)N(C(=O)COc1cccc(OC)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917171 MCZFRUKEHHWBDS-KRWDZBQOSA-N 443.499 4.681 10 10 IJCE O=C(CCOc1ccc2c(c1)CCCC2)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865782725 BTQBUCKPRNRONA-UHFFFAOYSA-N 425.484 4.748 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1C(=O)c1ccccc1 1865887801 WRSCPSFLCCFZOJ-UHFFFAOYSA-N 431.447 4.945 10 10 IJCE O=C(Cc1cnc(-c2ccc(F)cc2)s1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180485 ASKCOHSEFZCNJI-UHFFFAOYSA-N 442.471 4.906 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1ccccc1O 1984690684 NYFVFDMRTFJNCD-ZWKOTPCHSA-N 444.531 4.839 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NCc3cccc(Br)c3O)C2)CC1 2155238113 BYQSUWLZSNYDIJ-MRXNPFEDSA-N 439.394 4.814 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)cc(F)c2O)[C@H]2CCCC[C@@H]21 2179396645 WEAVWIORLADZNZ-PVAVHDDUSA-N 443.357 4.562 10 10 IJCE Cc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294143800 JTVGOFVPVXKEFJ-UHFFFAOYSA-N 449.894 4.569 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 2297328969 XGZAETIIGXZVSC-UHFFFAOYSA-N 445.997 4.732 10 10 IJCE CCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 2314765165 WOSPSPHAUMHADN-UHFFFAOYSA-N 432.954 4.675 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1O 2321646959 UTZGGKZSECDUSO-UHFFFAOYSA-N 436.898 4.758 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])cc2)c1 2321911690 DYBZNZIQLPINPF-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1C1CCN(Cc2ccccc2)CC1 2323879545 AXOXRONRGFHFHG-UHFFFAOYSA-N 430.545 4.831 10 10 IJCE CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 1166119 JRSMKJQIXCBAAC-BKUYFWCQSA-N 434.517 4.847 10 10 IJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(C)cc1 20235985 UXFLFAQXMIDUBH-OTXCQBAASA-N 449.532 4.625 10 10 IJCE CCCCC[C@H](O)/C=C\[C@@H]1c2cc(CCCCC(=O)O)n(-c3ccccc3)c2C[C@H]1O 90427949 CZIIGGQJILPHEU-BZLWILFZSA-N 425.569 4.773 10 10 IJCE CC[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 382062595 GKEKBXGBGMLKJJ-RDJZCZTQSA-N 427.383 4.985 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc1Br 382759892 YJJVYIBRZGPMCG-IBGZPJMESA-N 430.434 4.905 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1472686918 KWOVEIWFIWYESB-HNNXBMFYSA-N 427.854 4.739 10 10 IJCE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CNCc1cc(Cl)cc(Br)c1O 1857873109 QMNCAQLSNJZRHX-ISTRZQFTSA-N 432.786 4.902 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1862355002 HRVQLQTYMJPQFN-UHFFFAOYSA-N 438.531 4.510 10 10 IJCE COC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870872989 IOWFILGOYTVBND-UHFFFAOYSA-N 449.551 4.802 10 10 IJCE COCCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br 2095863014 HJEOVRHZXMSZKV-UHFFFAOYSA-N 431.296 4.754 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@H]2CCCC[C@H]21 2241008540 MSWXBPHARZNKAA-FHLIZLRMSA-N 439.394 4.813 10 10 IJCE COc1ccccc1OCCOc1ccc(Cl)cc1C=C1SC(=S)N(C)C1=O 2293394467 DCGSTHMABJQKGJ-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE CC(C)Oc1ccccc1C=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2295971113 WAHOTJIQHHEYLH-UHFFFAOYSA-N 441.984 4.920 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 2313499202 YNSMRLQVLBZPRP-UHFFFAOYSA-N 442.309 4.725 10 10 IJCE Cc1cc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)ccc1F 2323879715 ZBVGYKQKTSNYAB-UHFFFAOYSA-N 426.582 5.000 10 10 IJCE CCN1/C(=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)Sc2cc(C)ccc21 13120101 IEAXETDXSLLNOH-UHFFFAOYSA-O 447.627 4.706 10 10 IJCE COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 97494910 VLDLWKORMSPYQF-IBERAMNCSA-N 435.553 4.768 10 10 IJCE COc1ccc(-c2nc(NS(=O)(=O)c3cc(Cl)ccc3OC)sc2C)cc1C 170550922 UGJREOYYURMBDX-UHFFFAOYSA-N 438.958 4.898 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226741964 SLBQDACXIZQEOH-VWKPWSFCSA-N 447.944 4.763 10 10 IJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccc(Cl)c1 586223025 HNDSDQZTBDFEPY-UHFFFAOYSA-N 439.920 4.721 10 10 IJCE CCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)cc1OC 1865669198 GZYTTWICYYSALZ-XQNSMLJCSA-N 442.515 4.933 10 10 IJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(Cc2ccccc2)C(C)C)n1 1867957365 CPBHKQDMMPKTRJ-UHFFFAOYSA-N 445.611 4.789 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873166783 HAHUTUQXKXPIAA-UHFFFAOYSA-N 445.538 4.759 10 10 IJCE Cc1ccc([C@@H](n2nc(C(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079064035 RSEGZWVSVSNPAM-CQSZACIVSA-N 448.251 4.887 10 10 IJCE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 2098524843 JCFBFLRJCPGHPF-IUODEOHRSA-N 447.801 4.981 10 10 IJCE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(C=CC(=O)O)c(Br)c1 2152187871 XODDIBUCYYJGHP-SJORKVTESA-N 429.358 4.646 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc(Br)cc2O)C(F)(F)CC1 2161226437 TZPUESYGVVFZAD-AWEZNQCLSA-N 449.336 4.527 10 10 IJCE O=C(O)c1cc(-c2ccc(C=C3NC(=O)N(Cc4ccccc4F)C3=O)o2)ccc1Cl 2297316273 SBDJSRJWABHDDB-UHFFFAOYSA-N 440.814 4.530 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S 2297624674 ZRQVYUFAEXYWNY-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1OCC 2321733906 ALCOXRTXJDJSRG-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccccc2)N=C1c1ccccc1 2332141112 INFQFGCCAQYXBV-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE Cc1ccc(CNC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(O)c1Br 2380801878 ATOXKEZHHFBFRM-ZKTXZKFHSA-N 429.402 4.996 10 10 IJCE Cc1ccc(CNC[C@]2(C3CC3)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381134419 CBCLZLONPQSSMG-OAQYLSRUSA-N 439.394 4.590 10 10 IJCE Cc1ccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1Br 2381142835 NCIMWICVADNXPK-IRXDYDNUSA-N 443.307 4.616 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NC1CC(C)(C)NC(C)(C)C1 13623474 XHMSXAYLDOIZNM-HMMYKYKNSA-N 439.629 4.972 10 10 IJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N2O1 20236352 LMEOPPILPSLNSM-FTNSYOLJSA-N 437.883 4.638 10 10 IJCE C/C(NC1Cc2ccccc2C1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 21345204 NEEITQFSFFAROW-PDGQHHTCSA-N 442.466 4.592 10 10 IJCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc(-c2ccccc2)cs1 35640415 JLCODJCAOSTLPA-DHDCSXOGSA-N 443.600 4.712 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1nc2ccc(F)cc2s1 208740197 OIHCTDHTZDGFQS-MHWRWJLKSA-N 443.550 4.665 10 10 IJCE CCCCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc(OCC)cc2)c1C 1472923613 HUPQJIOWDNKXJZ-UHFFFAOYSA-N 428.558 4.565 10 10 IJCE CN(C)c1ccc(CNCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1860708441 LDLUDWDPHZVUTF-UHFFFAOYSA-N 433.396 4.909 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2F)N2CCCCC2)cc1 1866140366 XOTZPUJTJCPAMH-FQEVSTJZSA-N 448.380 4.611 10 10 IJCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3cccs3)c(Br)cc21 1915389941 KTAIREPFSXCQBI-HXUWFJFHSA-N 442.382 4.930 10 10 IJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2079040969 PXRAOKWMYKAHGB-MRXNPFEDSA-N 439.341 4.771 10 10 IJCE Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 2293228284 MCIXODMMNYJSSK-UHFFFAOYSA-N 436.440 4.921 10 10 IJCE O=C(NN1C(=O)C(=CC=Cc2ccco2)SC1=S)c1ccc(Cl)cc1Cl 2296883551 YKWFQGQLBDYVQO-UHFFFAOYSA-N 425.318 4.689 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470912 SLBQDACXIZQEOH-MRUHUIDDSA-N 447.944 4.763 10 10 IJCE COc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 15035814 JCGPJTLMUAOWOB-UYRXBGFRSA-N 440.590 4.833 10 10 IJCE COc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O 206931904 KQDXKYDDEVFRCX-MOSHPQCFSA-N 434.542 4.703 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCCC(=O)O 210463528 BSBZKULIHZVVLE-UYRXBGFRSA-N 443.546 4.653 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OC(F)F 750899013 CENBYOAMDIMMRN-YRNVUSSQSA-N 438.315 4.670 10 10 IJCE C[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O 756552463 FRAVOGCEKNAYKF-QWHCGFSZSA-N 431.346 4.592 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 765642359 QIWJKCMKBZMADL-CYFREDJKSA-N 429.555 4.757 10 10 IJCE COc1ccc(OC)c(/C=C2\SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c1 1084204355 XWDCMLMZRGYJRB-ZDLGFXPLSA-N 434.970 4.936 10 10 IJCE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1132043372 FRJWKDNCVWBTAM-AREMUKBSSA-N 427.548 4.983 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCC2)cc1 2044729795 JLZDEYPBJGFOFO-IEXUWNMDSA-N 440.584 4.819 10 10 IJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2080025656 RQGLTQMFGJKEFN-QGZVFWFLSA-N 437.334 4.961 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@@H]2CCCC[C@@H]21 2179399579 ZQNTUXPJBJZPOS-BQFCYCMXSA-N 439.394 4.670 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2ccc(Br)cc2O)CCC12CCC2 2225555232 JZEMMOWAORQISW-MRXNPFEDSA-N 425.367 4.567 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1 2313560408 SCJUHHJIZWIPGC-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE Cc1cc(C)cc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 2313562602 YTWINFQEVYPTGT-UHFFFAOYSA-N 435.936 4.579 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 2321635450 KVKYIYYMGVGUEQ-UHFFFAOYSA-N 443.550 4.855 10 10 IJCE O=C1N=C(O)/C(=C\c2cccn2CCCOc2ccccc2)C(=O)N1c1ccc(F)cc1 2258341 GRKBEFRKLRSBAS-LTGZKZEYSA-N 433.439 4.603 10 10 IJCE Cc1cccc(N2C(=O)/C(=C\c3cc4c(cc3Br)OCO4)SC2=S)c1 9296607 DAAJTUWYHZYVCP-FRKPEAEDSA-N 434.336 4.892 10 10 IJCE Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 27549497 UJFQDBUSBDSILN-VAXYQBTPSA-N 443.507 4.901 10 10 IJCE COc1ccc(/C=C(\C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 33735589 GZYLKFYCMGURSP-QOMWVZHYSA-N 428.532 4.593 10 10 IJCE O=[N+]([O-])c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2ccccc12 59402475 BKXYDXVTCYAMSU-UHFFFAOYSA-N 431.414 4.795 10 10 IJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(I)cc1 101125063 NPBXMLJWMODTTK-MHWRWJLKSA-N 437.668 4.663 10 10 IJCE CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(N)=S)[C@H]3c2ccc(N(C)C)cc2)cc1 254884159 MVHSLZMRKZFDTM-YRJAKEBQSA-N 433.625 4.659 10 10 IJCE O=C1NC(=O)C(=C/C=C/C=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N1 685944751 UZXZOXZJUMOXKB-JXMROGBWSA-N 448.482 4.666 10 10 IJCE Brc1cc(CNC2CC2)ccc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687239003 CTGMICISNHRWBS-OYRHEFFESA-N 426.402 4.554 10 10 IJCE CC(C)(C)OC(=O)NCC1CCC(NCc2cc(Cl)cc(Br)c2O)CC1 708073282 NNFFTAGKYUCXNZ-UHFFFAOYSA-N 447.801 4.981 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ccnn3C)cc2Cl)C1 800721648 PVPANFDKNTWLCE-VGOFRKELSA-N 429.996 4.747 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)C(C)C 1146284299 KWRGARRHNILYIH-UHFFFAOYSA-N 445.563 4.845 10 10 IJCE COc1cccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)c1O 1865658581 MHKMKRRPDSYKLD-FLIBITNWSA-N 428.769 4.537 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC1)CC(NCc1cc(Br)cc(F)c1O)C2 1913353568 LNEMBMCVUPZXGY-UHFFFAOYSA-N 443.357 4.563 10 10 IJCE CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)c1c(O)cccc1F 1958763010 LNNCNGFCMXNKFE-HSZRJFAPSA-N 435.451 4.928 10 10 IJCE CCCC1(NCc2ccc(Br)cc2O)CCN(C(=O)OC(C)(C)C)CC1 2101397047 GCHXDKNISKNKCH-UHFFFAOYSA-N 427.383 4.814 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148938791 LAKKAWZMIPWLAX-DSKINZAPSA-N 428.418 4.817 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccc(Br)c1 2294082212 SGUHYKUXWHHKMF-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 2323865669 KCCDDCHVPRUOPF-GOSISDBHSA-N 425.575 4.881 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(Cc4ccccc4)c3C)C2=O)c(C)c1 59858729 BNYVPISQWMTWIA-BKUYFWCQSA-N 428.492 4.672 10 10 IJCE N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 97478575 JJNBGHMECDEBIC-XVDLVXLGSA-N 433.880 4.662 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc(F)cc1 210694840 ZTZPLUAWPBGYKZ-WOJGMQOQSA-N 425.510 4.537 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526367617 RPNBCQSNDJAVSI-XMMPIXPASA-N 446.503 4.620 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)c(O)c2)c1OC 526456266 LGZQICFAKDSCGU-HSZRJFAPSA-N 447.487 4.789 10 10 IJCE Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344926 HYYUABPWGNLORF-UHFFFAOYSA-N 448.526 4.912 10 10 IJCE COC(=O)c1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 1865675370 DQHAHNXGYRYRJH-LFVJCYFKSA-N 440.499 4.620 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@](C)(N)CC)sc(C)c1-c1ccc(Br)cc1 1866112882 SWMCBNFHKCEBDB-LJQANCHMSA-N 439.375 4.729 10 10 IJCE COc1ccc([C@@H](n2nc(C(F)F)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2079863111 RAKUKAYTZDEKKF-CYBMUJFWSA-N 433.249 4.631 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080012985 WXJZUQSKMZBTFO-GOSISDBHSA-N 437.334 4.659 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2Br)cc1C 2080037731 NXPNEFPMEMQZBK-OAHLLOKOSA-N 433.268 4.869 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251798 COSBOMVJDHKPHN-GWJPWWOOSA-N 429.402 4.993 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935576 UECWHXDCUZBRNF-FBBABVLZSA-N 429.402 4.851 10 10 IJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 2295170713 KAISSFWKQPAQLD-UHFFFAOYSA-N 431.404 4.668 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 2296940816 SYWDDRJKZLATQK-UHFFFAOYSA-N 425.916 4.542 10 10 IJCE Cc1ccc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1F 2297298914 OFBLJLWPGZZZIE-UHFFFAOYSA-N 435.474 4.749 10 10 IJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc3cccc(Cl)c3n2)SC1=S 2297500748 CINFYVFMSBOOHJ-SFHVURJKSA-N 440.933 4.915 10 10 IJCE COc1ccc(CNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 2313682815 LGHWLKXVXYSCPG-UHFFFAOYSA-N 427.504 4.519 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1OC 2321689089 ALFVLHGTHUUOSJ-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE Cc1ccc(CNCC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(O)c1Br 2381137391 HBGJECIXRQIGLT-IIBYNOLFSA-N 439.394 4.590 10 10 IJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCc1ccccc1 15043602 XPCUHCOSKWQMRR-AQTBWJFISA-N 430.982 4.638 10 10 IJCE COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)c1 20070989 DDQDXBMZGSZJRQ-NBGIEHNGSA-N 432.476 4.660 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2c(O)ccc4ccccc24)[C@H]2CC=C[C@@H]32)CC1 20751993 ADJPMOFSTCQLPS-CLHVYKLBSA-N 439.559 4.760 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCCCOc1cc(C)cc(C)c1 33747507 HXEJFEKHNRZUKX-XSFVSMFZSA-N 443.590 4.991 10 10 IJCE COc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)cc1 102444655 QRVQPWUJRTZFHP-AUQXIXNCSA-N 448.500 4.662 10 10 IJCE COc1ccc([C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c2nccn2C)cc1 248156166 VQNVUEJNMUNHNS-XMMPIXPASA-N 428.536 4.664 10 10 IJCE CC[C@H](NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 311993589 QJBOZRYLJIPZLE-QRTARXTBSA-N 427.383 4.889 10 10 IJCE FC(F)(F)c1cc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 1860481225 ADPLFGJNFLPULS-OCOZRVBESA-N 426.826 4.904 10 10 IJCE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865933351 NGEDWTDCORSYHB-JPYJTQIMSA-N 429.992 4.517 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2F)N2CCCCC2)cc1 1866140367 XOTZPUJTJCPAMH-HXUWFJFHSA-N 448.380 4.611 10 10 IJCE CC[C@@H](N[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 1918991843 LMCRKCZLXJQIGL-SJLPKXTDSA-N 439.394 4.985 10 10 IJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2078982991 XEQXKZBLFKINQQ-GOSISDBHSA-N 438.309 4.827 10 10 IJCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C)c(Br)c1O 2352681903 XLXUVSFHWXVHEQ-ZBFHGGJFSA-N 427.383 4.588 10 10 IJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl 20236075 YCQIXJYZFNYVIZ-QDTGPSGXSA-N 437.883 4.768 10 10 IJCE CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccccc3F)N2)c1O 20764058 LYSPWHIHUMCJFB-NBGIEHNGSA-N 434.467 4.881 10 10 IJCE Cc1cc2c(n1-c1ccc(I)c(Br)c1)CCC[C@H]2O 311706359 IXSUCLMMYBMOHA-OAHLLOKOSA-N 432.099 4.523 10 10 IJCE CCCNCc1ccc(N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1Br 323659747 UCZYAXKFSQOUIT-IBGZPJMESA-N 430.434 4.907 10 10 IJCE COc1ccc(O)c([C@@H](C)Nc2cc(I)ccc2Br)c1 383512215 DTGPDOCCYDRAMM-SECBINFHSA-N 448.098 4.941 10 10 IJCE C[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708072616 GWBHQZFRXODLKM-BXUZGUMPSA-N 433.774 4.686 10 10 IJCE O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1)C1CCCC1 779618188 ARJCKNWNSCIFMU-CQSZACIVSA-N 437.371 4.930 10 10 IJCE CC[C@@H](NCc1cc(C)cc(Br)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 781637957 ZVGUUDBQUVMERG-WOJBJXKFSA-N 429.362 4.521 10 10 IJCE CCc1c(OCCCOc2ccc(N)cc2)c(=O)ccn1Cc1cccc(C(F)(F)F)c1 1857913280 BKPGARBRYAUWAJ-UHFFFAOYSA-N 446.469 4.908 10 10 IJCE CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1 1860085809 KVVKZRBVDPVHEP-UDWIEESQSA-N 427.547 4.898 10 10 IJCE CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865672209 PSNZSZKJVSIWKI-GZTJUZNOSA-N 429.314 4.745 10 10 IJCE CCCCCn1cc(OCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870663607 KLOAGFRDBQAFJR-UHFFFAOYSA-N 441.616 4.548 10 10 IJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(CO)c1I 2079984499 JHEGBBPAUBOGHG-INIZCTEOSA-N 440.325 4.569 10 10 IJCE C[C@@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2115816507 CMSKRQBZNSNYQR-CHWSQXEVSA-N 447.801 4.933 10 10 IJCE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(CNC2CC2)c(Br)c1 2152157035 AVGCVDAPHSKMFP-MSOLQXFVSA-N 428.418 4.800 10 10 IJCE C[C@@H](NCc1cc(Br)cc(F)c1O)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172877084 KIVUUTFZFMXUFZ-BZNIZROVSA-N 443.313 4.631 10 10 IJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C[C@H]1CCCO1 2296711360 RCZRGXKCCQVRPR-HXUWFJFHSA-N 447.585 4.920 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccccc1C(F)(F)F 2296807662 TYJIPIMYRSJYKM-UHFFFAOYSA-N 428.482 4.607 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC2CCCC2)cc1 2313683005 PLZZSYADQTUNJM-UHFFFAOYSA-N 432.549 4.862 10 10 IJCE CCCCCCN1C(=O)C(=Cc2c(NCCC)nc3c(C)cccn3c2=O)SC1=S 2314414811 NHLLQSSGMAMTQQ-UHFFFAOYSA-N 444.626 4.606 10 10 IJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1nccs1 2314827281 APVBGVUOFUCJLH-UHFFFAOYSA-N 444.390 4.680 10 10 IJCE COc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1O 2332097766 AWFUCIWMLDICBI-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC2Cc3ccccc3C2)cc1 21345096 SPKOMDDRDDPQGX-UQQQWYQISA-N 441.506 4.616 10 10 IJCE COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 38204433 XJEGJSPZMLERGF-XDHOZWIPSA-N 438.530 4.689 10 10 IJCE Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 97441575 XGXJOXMVDCIGCG-WQRHYEAKSA-N 426.303 4.862 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCc2ccco2)cc1 205962483 PGIKFJWAHIGCEZ-RCCKNPSSSA-N 444.516 4.713 10 10 IJCE CCCNCc1ccc(N2CCN(Cc3ccccc3)C[C@H](C)C2)c(Br)c1 323646747 TVOXMQYFDFTPPN-IBGZPJMESA-N 430.434 4.907 10 10 IJCE CCN(CC)C(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586673045 SQIXXSCGMDZBEQ-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Br 706821888 SLMHOXYSCZSLHZ-VLIAUNLRSA-N 427.383 4.718 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 707848531 HLBIQMHXDVHQPN-OYRHEFFESA-N 428.418 4.515 10 10 IJCE Cc1ccc([C@@H](C)CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 737649412 PYEKAQNSLJWCJO-HUCUOGIVSA-N 444.647 4.958 10 10 IJCE CC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1Cl 783123818 TXPNPHGGTXHNGY-KBPBESRZSA-N 433.911 4.617 10 10 IJCE COc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F 1865679318 HBMBYVCBHFONQD-UVTDQMKNSA-N 425.204 4.806 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873167141 UINCZLMBQKZLKG-UHFFFAOYSA-N 441.575 4.805 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1F 1951662632 HRGGQAHAGQPFHP-OAQYLSRUSA-N 435.451 4.976 10 10 IJCE CC(C)(C)OC(=O)N1CCc2c(N(Cc3ccccc3)C[C@H]3CCCO3)ccc(N)c2C1 2034743106 HHSVMENCSGCIAQ-HXUWFJFHSA-N 437.584 4.748 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2140715907 BKVPEGDZUBWZDG-XFJVYGCCSA-N 445.785 4.543 10 10 IJCE CCCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC(F)F)c(Br)cc21 2152220743 VEEIWRSLSWPPTF-LJQANCHMSA-N 438.316 4.714 10 10 IJCE CCCCOc1cccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 2314767450 GXPWJFHBIZDPRP-IBGZPJMESA-N 427.547 4.893 10 10 IJCE Cc1nc2ccccn2c1C=C1SC(=S)N(c2cccc(C(=O)OC(C)C)c2)C1=O 2321718106 CKRMREUVTDDJAS-UHFFFAOYSA-N 437.546 4.614 10 10 IJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323829749 OLSOODGINBZQJH-FOIQADDNSA-N 441.574 4.966 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc(Br)c1O 2332107083 MCVGLKUULWBJIE-UHFFFAOYSA-N 429.314 4.582 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479326 ISBMEVDIAPNSRZ-IMWIBFENSA-N 442.581 4.561 10 10 IJCE CCOc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 33424409 MUNRUIAZQXCXFX-HKWRFOASSA-N 427.957 4.531 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 383799799 YPWGGSVHLIACFY-LEWJYISDSA-N 428.418 4.517 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526295278 UENMOAZIJABSNL-XMMPIXPASA-N 430.504 4.827 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)c(O)c1 526499626 RUXWUKTWHNOSMZ-HSZRJFAPSA-N 447.487 4.871 10 10 IJCE C[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C[C@@H]1n1ccnc1 759116026 DOMFAJIIVHOSBE-LEOXJPRUSA-N 442.523 4.514 10 10 IJCE CC(C)(C)C1CCC(OC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)CC1 1858689169 YNRIIDHVOBKIID-UHFFFAOYSA-N 441.528 4.802 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(F)c(Br)cc1F 1891736392 JWGBNBZVLXWNEN-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2cccc(Br)c2O)C1 2100260537 ZOJQMPZOCNKUQT-HOCLYGCPSA-N 427.383 4.718 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(Br)c1 2188888215 VNTYEQXBOFOPFC-NFBKMPQASA-N 428.418 4.658 10 10 IJCE C[C@H](N)c1ccc(N(C)Cc2ccc(I)cc2)c(Br)c1 2280272897 NMOBYMWQESUXSS-NSHDSACASA-N 445.142 4.710 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cccc(O)c1 2296754982 ZKDKIZCXJWQZDA-UHFFFAOYSA-N 432.954 4.666 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(Br)c1 2297451653 UXWZKMOASZCPLJ-UHFFFAOYSA-N 435.119 4.930 10 10 IJCE CC1=NN(S(=O)(=O)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2314408858 FBAIRVPDQCNTGO-UHFFFAOYSA-N 426.881 4.590 10 10 IJCE CC1CCN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)CC1 2314485692 CFSYSDLOVJNVOQ-UHFFFAOYSA-N 436.602 4.807 10 10 IJCE Cc1ccccc1C=C1SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 2314828656 UWSOIWLGZZUUJJ-UHFFFAOYSA-N 436.480 4.854 10 10 IJCE COc1cc(C=C2SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc(Br)c1O 2323790709 DASMHGVQCCUMAC-ZWNOBZJWSA-N 442.400 4.943 10 10 IJCE Cc1ccc(I)cc1NCc1ccc(C)c(Br)c1O 2352681252 UYHQIDBVYLPWJG-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE C[C@@H](CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)NC(=O)c1ccccc1 11967716 NXRMQCOQJIIVAW-PPHZAIPVSA-N 438.527 4.960 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)O 16915680 JASNBTNXAFFDJG-LICLKQGHSA-N 449.937 4.608 10 10 IJCE CCOCCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 54620621 CNODWLKZBPBPSL-DEOSSOPVSA-N 443.503 4.730 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc1Br 96476641 XYIHHHJUQHGYRY-ZSOIEALJSA-N 449.301 4.659 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526170946 NXQJNZJBZBWYSS-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(O)nc4ccc(F)cc34)cc2Cl)C1 1128490624 XAQNLKCTEHNBNJ-CQSZACIVSA-N 427.907 4.899 10 10 IJCE C/C(=C\c1ccccc1)CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1658236812 RXYFBTLWHJKLCV-LRXXLLMYSA-N 438.527 4.824 10 10 IJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CCOCC)CC1 1705546328 IIMDPUQEFHPLPY-UHFFFAOYSA-N 431.584 4.629 10 10 IJCE COc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1OC 1860085428 KTLVQSZVIGCUIN-CXUHLZMHSA-N 436.352 4.872 10 10 IJCE Cc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345071 RMKVXUAEQNHOCU-UHFFFAOYSA-N 434.499 4.521 10 10 IJCE COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 1865675409 GIELFABWJAQSFU-PXLXIMEGSA-N 446.890 4.970 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2)cc1 1865677594 SIBAOOLNAIPMPM-PXLXIMEGSA-N 444.487 4.556 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(C(C)C)C2=O)cc1 1873424752 VGIAVWASMPDXLZ-UHFFFAOYSA-N 439.519 4.571 10 10 IJCE CC[C@@H](N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104743776 NHEHMWMNKBTWPZ-ZXYWRSMDSA-N 431.346 4.591 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313558834 KVHCEGAHPAMALE-UHFFFAOYSA-N 447.535 4.627 10 10 IJCE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 9260131 ZNSBPIRUHTVMRF-ATVHPVEESA-N 434.536 4.962 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1OC 20071072 IDHCTMARSZRIQK-FNZWTVRRSA-N 446.503 4.969 10 10 IJCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2)cc1C 103703930 SHKNKHQPVJMLNE-FFQHCQMLSA-N 433.533 4.928 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 205691920 SENXBMANENIXNV-QGOAFFKASA-N 441.534 4.523 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3ccccc3)C2=O)cc1 210709365 FIIOXEVWEYPQLP-HMMYKYKNSA-N 438.618 4.892 10 10 IJCE CC[C@@H]1[C@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 708193346 VHRDIYGKAJBIDA-HUUCEWRRSA-N 433.774 4.686 10 10 IJCE Cc1ccc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C\c3ccc(C)nc3)c(C)c2)cn1 754350138 CPWIAMKMXYDYPW-FOIMCPNXSA-N 426.520 4.730 10 10 IJCE COc1ccc(OC)c(NC(=O)C[C@H](C)NCCc2cc(C)n(-c3ccccc3)c2C)c1 761571997 KJNMDTTWPQEUSG-SFHVURJKSA-N 435.568 4.661 10 10 IJCE CC(=O)N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC12CCCCC2 1311738949 VCRKFCGDJQXJFL-UHFFFAOYSA-N 440.632 4.532 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)CCCc3ccc4nc(O)[nH]c4c3)cc2Cl)C1 1617902360 YQEJHMFNIRDWOI-INIZCTEOSA-N 440.975 4.797 10 10 IJCE C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1677301235 XOHPZYCZFZVZGI-DSFUBLQRSA-N 425.548 4.684 10 10 IJCE O=[N+]([O-])c1ccc(N2CCN(/N=N/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1 1860480797 FCALAMATKVKVGR-OCEACIFDSA-N 448.327 4.848 10 10 IJCE CC[C@@H](NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159045093 WZFCNHSKOIGXFH-DZGCQCFKSA-N 449.336 4.840 10 10 IJCE CCCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 2314647618 GDPOJHMTLXZUKC-UHFFFAOYSA-N 441.622 4.771 10 10 IJCE Cc1ccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1Br 2380746664 PIPPFDQZRQVLCC-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE Cc1ccc(CN[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CCC3)c(O)c1Br 2381130303 WTGMFBGDQGISOR-IIBYNOLFSA-N 439.394 4.875 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 39870152 ASNXADBVMFCMQW-XDHOZWIPSA-N 449.444 4.724 10 10 IJCE CC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 1264175931 GLOOIHNZZPBCRT-JOCHJYFZSA-N 436.581 4.866 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1519155959 KFWKNKLIYFDRLO-FUYCXPICSA-N 434.458 4.703 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)ccc1O 1865650065 SZIFGYYIGBXXJY-HZHRSRAPSA-N 442.515 4.938 10 10 IJCE COc1ccc(N2CCN(C(=O)c3nc(C)sc3-c3ccccc3Cl)CC2)cc1 1873831952 VOMKNLFWOGHYPS-UHFFFAOYSA-N 427.957 4.743 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(F)cc1Br 1891420678 FBNZJOBHIVRDEA-UHFFFAOYSA-N 449.273 4.791 10 10 IJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 2294134241 XLRHQLKYCVBGLT-UHFFFAOYSA-N 444.462 4.688 10 10 IJCE COc1cc(N2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)cc(OC)c1OC 2321738591 WVFHVAVQTQJTOR-UHFFFAOYSA-N 433.576 4.840 10 10 IJCE CCOc1c(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccc(OC)cc2)cccc1OC 2332117591 YBMWKYWAWTYOAR-UHFFFAOYSA-N 442.515 4.933 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](NCc3cc(Br)cc(F)c3O)(C2)C1 2358093738 QXUNULGRPUEEOE-ZUOKHONESA-N 443.357 4.563 10 10 IJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3070911 SGOUWPMKGXHTMI-QHCPKHFHSA-N 443.415 4.881 10 10 IJCE COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc1 20071174 POFQXNDYLIIEBH-PXDATVDWSA-N 444.487 4.738 10 10 IJCE COc1ccccc1N=N[C@H]1C(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)N=C1C 252462738 VUMZSHQKPUDQCA-GOSISDBHSA-N 436.453 4.602 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526237727 NHKXZBLIVDLKBO-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CC(=O)Nc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526511898 NYSMKVWIICEKMO-QHCPKHFHSA-N 448.450 4.561 10 10 IJCE COc1ccc(N2CCC(NC(=O)NCc3ccc(COc4ccccc4)cc3)CC2)cc1 726613720 NUSXZGXCRIBBPM-UHFFFAOYSA-N 445.563 4.742 10 10 IJCE Cc1cc(Br)c(O)c(CNC2CCN(c3nc4ccccc4s3)CC2)c1 781627552 AXWLKSGEJJKJPP-UHFFFAOYSA-N 432.387 4.831 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)NCCC2=CCCCC2)sc(C)c1-c1ccc(C)cc1 1860761147 NUWXCMZWQZQYFE-UHFFFAOYSA-N 440.565 4.764 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CC(C)C)C2=O)cc1 1873164194 QFSKVBDRPSIVHV-UHFFFAOYSA-N 433.577 4.681 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873165517 MGGHUMMJEVAKJA-UHFFFAOYSA-N 449.595 4.521 10 10 IJCE COCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169237 GRHFIOSOJFWISW-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE CN(C)c1ccc([C@@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044717548 FQYDUILWXDNGMQ-BVAGGSTKSA-N 440.584 4.630 10 10 IJCE COc1cc(Cl)cc(CNCc2scc(Br)c2Br)c1O 2150568518 YNMKFSJLTPSTIG-UHFFFAOYSA-N 441.572 4.931 10 10 IJCE CN1CCc2cc([C@@H](O)c3cc(Br)cc(NC(=O)OC(C)(C)C)c3)ccc21 2163064205 TVDRQERXDBHWAO-LJQANCHMSA-N 433.346 4.870 10 10 IJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc2ccccc12 2297351146 ZYXNGBKMNDBZRW-UHFFFAOYSA-N 436.470 4.883 10 10 IJCE CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 2297361359 SVGYPOIYTBLTHF-UHFFFAOYSA-N 426.538 4.744 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)cc1OC 2318683997 LTCWMOJKKGLPES-UHFFFAOYSA-N 431.604 4.870 10 10 IJCE CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124792 PSNZSZKJVSIWKI-UHFFFAOYSA-N 429.314 4.745 10 10 IJCE COc1cc(C=C2C(=O)N(c3ccccn3)N=C2C)ccc1OCCCc1ccccc1 2332127064 YIHUIRFBYCUZGQ-UHFFFAOYSA-N 427.504 4.908 10 10 IJCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(C)c(Br)c1O 2352675487 HGMQYRZEWFUEAW-ZBFHGGJFSA-N 427.383 4.588 10 10 IJCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 14550779 BXTIYAIIMHBUJP-MIZPHKNDSA-N 439.537 4.596 10 10 IJCE C/C(Nc1cc(C)ccc1O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 108402208 ZQXDEBXLZWPXDN-WJDWOHSUSA-N 432.427 4.961 10 10 IJCE CC[C@@H](N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1cc(Br)ccc1O 390063894 KVZDCTMCURDTEB-SJLPKXTDSA-N 439.394 4.985 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526447458 HXSWGPIGURZCPZ-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526505379 SWBJPMRKTXRIDA-DEOSSOPVSA-N 446.503 4.620 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1O 1643274982 WZEJNHSTGSBCPQ-NRFANRHFSA-N 430.520 4.870 10 10 IJCE CCc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858345689 QLRCQLJSVNUXIK-UHFFFAOYSA-N 440.547 4.535 10 10 IJCE CCc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345089 SLZRISMQOUJMCQ-UHFFFAOYSA-N 448.526 4.775 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)c(C)c1 1866090987 FXWIUMFLBXPQIH-UHFFFAOYSA-N 440.477 4.993 10 10 IJCE CCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166607 SRPSNAXCSBTOKG-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE Cc1cc(O)c([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1C 1953058468 JRVVUVYTWORLMT-KCWPFWIISA-N 443.499 4.848 10 10 IJCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2294229042 IXJPNVOGVZBOIO-UHFFFAOYSA-N 426.856 4.570 10 10 IJCE COc1ccc2ccccc2c1C=C1SC(=S)N(CC(=O)OC2CCCCC2)C1=O 2314739526 CVMNLCZJIFWVKS-UHFFFAOYSA-N 441.574 4.926 10 10 IJCE CCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1OC 2332124409 ABUIJNDXPLSBJS-UHFFFAOYSA-N 428.488 4.937 10 10 IJCE Cc1ccc(CN[C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1Br 2352692679 MFKTYEZOKHVZBR-CVEARBPZSA-N 427.383 4.779 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNCc1c(O)cccc1Br 2358985677 BFEYKEJIIOEFHJ-DAYGRLMNSA-N 439.394 4.813 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C/C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 15627880 LVTFSNQCZKOQDE-DTQAZKPQSA-N 440.547 4.852 10 10 IJCE O=C1/C(=C\NC2Cc3ccccc3C2)C(c2ccccc2)=NN1c1nc2ccccc2s1 21345149 MIJYPUAHIUTECR-PGMHBOJBSA-N 436.540 4.688 10 10 IJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1C 32964281 IEKGHBWOYAWKCS-OAHXEOETSA-N 443.507 4.901 10 10 IJCE COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc4c(c2)CCCN4C)C3)n1 55282522 FLNDKXNREAIAPU-UHFFFAOYSA-N 445.563 4.543 10 10 IJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 206856972 RRZNYXUVYAQQJK-DEDYPNTBSA-N 436.558 4.756 10 10 IJCE Oc1cccc2c1[C@@H](Nc1cc(I)ccc1Br)CC2 389085541 FJGKVEOOKUOMSB-LBPRGKRZSA-N 430.083 4.859 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 708077227 QARKSONZHWKEGG-XFQXTVEOSA-N 435.793 4.808 10 10 IJCE CCN(Cc1nc(O)c2oc3ccccc3c2n1)Cc1cc(Br)ccc1O 744426248 PHPDDDBRNUUXPC-UHFFFAOYSA-N 428.286 4.572 10 10 IJCE C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCCC2=O)cc1 765351012 MAYMDESRPUPENQ-ROUUACIJSA-N 427.976 4.715 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(C(F)(F)F)cnc3O)cc2Cl)C1 1556369991 ZMLRZIPLGCUYJO-LBPRGKRZSA-N 427.854 4.626 10 10 IJCE CCCN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947477606 KGAOSHLSQSBJON-RBBKRZOGSA-N 428.573 4.933 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2cc(C)c(C)cc2O)c1Br 2080032166 BBGPCLDKJQLQNH-SNVBAGLBSA-N 435.240 4.773 10 10 IJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1Cc1ccco1 2314457857 BANRUSYBCNUXJL-UHFFFAOYSA-N 444.541 4.929 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140426 FAUVNTICWLEDIB-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)c1ccc(Cl)cc1 1134781 AOXMLPAUJJERMV-DEDYPNTBSA-N 426.925 4.859 10 10 IJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479633 LWXFTLBKTRDOKY-WDEBQMKVSA-N 442.581 4.607 10 10 IJCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 18150681 ZUKYHDZPYXOOSE-UHFFFAOYSA-N 435.593 4.590 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 33323584 YGUKYGDQMULRFJ-CPNJWEJPSA-N 426.563 4.542 10 10 IJCE COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 59860613 ILLNYSMILUUVHC-ZSOIEALJSA-N 435.661 4.618 10 10 IJCE COc1ccccc1Oc1ccc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1 210025462 ZVGAERDUNRUZSX-GDNBJRDFSA-N 444.531 4.654 10 10 IJCE CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1N=Nc1nccs1 252617902 LAYLXUUPOSAOCY-CYBMUJFWSA-N 447.343 4.904 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526405210 DNTPRYGYQHRGMY-QHCPKHFHSA-N 433.460 4.562 10 10 IJCE C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H](c2ccco2)C1 744384739 PUBJWNHDPRMQEV-AUUYWEPGSA-N 444.443 4.577 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2)sc(C)c1-c1ccc(Cl)cc1 1860746765 CMKUFUWPXXSQLC-UHFFFAOYSA-N 443.912 4.526 10 10 IJCE Nc1ccc(CC(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 1865957098 VOXCCJJHNUZZNY-UHFFFAOYSA-N 448.324 4.899 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(C(C)C)C2=O)cc1 1873170991 ZUEUVRKOEUHPHP-UHFFFAOYSA-N 441.575 4.805 10 10 IJCE CCc1ccccc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 2313682977 OUSQAHGLWPGNBO-UHFFFAOYSA-N 434.521 4.511 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OC 2321585832 ZYCVNCJKWOWYTN-UHFFFAOYSA-N 443.546 4.517 10 10 IJCE COc1cccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1OC 2321698173 ZDIHOLSBXWHFJA-UHFFFAOYSA-N 426.563 4.710 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 2332125689 DBKIBVWTBDMBRH-UHFFFAOYSA-N 429.314 4.971 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127426 XFEGRIFBKHLUHP-UHFFFAOYSA-N 446.890 4.954 10 10 IJCE CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(C(=O)O)c2)N=C1C 13914294 AZZUYYBTTMFOIJ-LDADJPATSA-N 443.297 4.742 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC(=O)c1cccc(OC)c1 33307322 DTBXRXJVMMEVMW-XDHOZWIPSA-N 443.546 4.534 10 10 IJCE CCCCN(CCCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CC)n1 1867959737 UEGWSVZLEQTZPS-UHFFFAOYSA-N 425.621 4.781 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)[C@@H]1C(C)(C)C 1877293524 ZUVLFFYIPBYXPC-DOTOQJQBSA-N 427.383 4.668 10 10 IJCE CCN(c1ccc(CNC2CC2)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 1915026241 MTAVILCQIOOEJH-JOCHJYFZSA-N 428.418 4.802 10 10 IJCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCC2)cc1 2044729796 JLZDEYPBJGFOFO-IGKWTDBASA-N 440.584 4.819 10 10 IJCE CCCC1(NCc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)CC1 2101397700 KMIBSNWXPFUPBI-UHFFFAOYSA-N 427.383 4.814 10 10 IJCE O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCOCC2)cc1Br 2152167539 GQTPUHUIOAQSQG-UHFFFAOYSA-N 430.342 4.980 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 2297463127 INWFJBSLTAYOKG-UHFFFAOYSA-N 448.548 4.872 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC 2332125661 AACNFAAMULHDQG-UHFFFAOYSA-N 447.304 4.797 10 10 IJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(I)cc1 13175811 BYQNTHUNTFCGHS-YBEGLDIGSA-N 437.668 4.663 10 10 IJCE Cc1ccc(C)c(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1 32964296 XJWBJXJSXKDNOZ-OAHXEOETSA-N 443.507 4.901 10 10 IJCE N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12 33304596 NWCLRVLWZNFJFF-KBVRANJKSA-N 447.339 4.552 10 10 IJCE C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 708173917 ZLZJPSBUVLWXSP-SMDDNHRTSA-N 433.774 4.686 10 10 IJCE CN(C)C1CCN(c2ccc(NCc3ccc(OCc4ccccc4)cc3O)nc2)CC1 753570061 HUQMASUASWLCLJ-UHFFFAOYSA-N 432.568 4.509 10 10 IJCE CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(NC(=O)/C=C/c2cncc(C)c2)cc1 772144568 YCUWFIAKKPSMJS-YDWXAUTNSA-N 426.520 4.812 10 10 IJCE Cc1ccc(-n2ncc3c(Nc4cccc5c4C(=O)c4ccccc4C5=O)ncnc32)cc1 1859833017 XMVLXHGMWFOSFL-UHFFFAOYSA-N 431.455 4.643 10 10 IJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cccc(Cl)c1Cl 1860721182 LRHQKGPRYCOCDM-UHFFFAOYSA-N 438.536 4.843 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cc(C)ccc4C)cc3)CC2)cc1 1872874009 ODKMWPJAODPEDN-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE Cc1cc(C=CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccccc1 2042451804 HOSTXVXLGXYJIQ-FQEVSTJZSA-N 433.596 4.604 10 10 IJCE CN1CCc2cc([C@@H](O)c3ccc(Br)cc3NC(=O)OC(C)(C)C)ccc21 2163070356 HSILFSKOXVJXGR-LJQANCHMSA-N 433.346 4.870 10 10 IJCE O=C1C(=Cc2cc3cc4c(cc3nc2O)OCO4)SC(=S)N1c1ccc(Cl)cc1 2296601909 TWDOXFKFBOXODH-UHFFFAOYSA-N 442.905 4.728 10 10 IJCE Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Br 2352950071 NHBHYWSLMVICNM-GOEBONIOSA-N 427.383 4.588 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 13635201 GJYHKPBEFFQCKK-FBLLAGFSSA-N 438.593 4.942 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc1 14461818 GEENEKORTDYGQL-WRALFONMSA-N 431.580 4.832 10 10 IJCE COc1ccc(N2CCN(Cn3nc(Nc4ccc(C)c(C)c4)sc3=S)CC2)cc1 16049576 JLHVPPQJKOIMIL-UHFFFAOYSA-N 441.626 4.823 10 10 IJCE CCOc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 96505855 LKDJECKQXPRWPU-WYMLVPIESA-N 427.456 4.521 10 10 IJCE CN(C)c1ccc(CNc2cc(Br)ccc2I)cc1 388371948 LEQWCWHEPOWTST-UHFFFAOYSA-N 431.115 4.732 10 10 IJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526289124 HCKAKIYPCSEIGF-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CCOc1ccc(O)c(CN[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)c1 727836669 AIRTYTXCGCEUJI-UUOWRZLLSA-N 425.573 4.534 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC)c1cc(Br)ccc1O 2140650032 JSBMZGHDFKEDFX-ZMSDIMECSA-N 445.423 4.546 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163262376 QLEXLVXRKGCIRC-WZONZLPQSA-N 429.402 4.995 10 10 IJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNCc1cc(Cl)cc(Cl)c1O 2234595159 TWBXJPFQDYECRB-CYBMUJFWSA-N 425.303 4.823 10 10 IJCE CCC1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 2293689686 MHJMYUIDYQTSLW-UHFFFAOYSA-N 429.845 4.537 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1OCC 2323829839 ZNROLFKPMNZMDQ-SCLBCKFNSA-N 437.583 4.575 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCN(CC)CC)cc2[C@H]2C=CC[C@@H]21 14545837 UKTCLNORPPXGHZ-ISJBWFOZSA-N 433.596 4.983 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 20700792 YFVIWWKOABGUEL-GDEXEMPNSA-N 444.984 4.624 10 10 IJCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)c(C)c2)c2ccccn2)cc1 54120848 SQZAKUVZQZDKFN-RUZDIDTESA-N 433.596 4.991 10 10 IJCE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118913536 CXCNNXQZTWDFHG-OELDTZBJSA-N 433.593 4.767 10 10 IJCE CN(C)c1ccc(/C=C\CN2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccccc2)cc1 211199390 BZYMQXMRNZWJHP-YSCBJLCGSA-N 431.624 4.617 10 10 IJCE CC1(C)CC[C@H](CNCc2cc(Br)ccc2O)N(C(=O)OC(C)(C)C)C1 686996829 BWKJRJPHXMWTCA-MRXNPFEDSA-N 427.383 4.670 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 708073977 XTXWQFOKJUSQIT-LBPRGKRZSA-N 433.774 4.545 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1650644108 OCSJYXCTUDZFQL-UHFFFAOYSA-N 447.379 4.771 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1858591402 KCCDDCHVPRUOPF-OGBKAESYSA-N 425.575 4.881 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2NCc2cc(Br)cc(F)c2O)C1 1918970409 ITDDDZPNDUJZMN-JXFKEZNVSA-N 443.357 4.563 10 10 IJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 2053512805 AJGWGQLFNQMHHF-AWEZNQCLSA-N 446.506 4.618 10 10 IJCE CCOc1cccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)c1 2332116678 OQZGZKPTPGJHES-UHFFFAOYSA-N 428.488 4.937 10 10 IJCE Cc1c(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)oc2ccccc12 734526398 QRHSAGQBOJCGNP-UHFFFAOYSA-N 447.457 4.596 10 10 IJCE C[C@H]1CN(c2ccc(CN[C@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2F)C[C@@H](C)O1 756422987 PNVWUVNDOMWTCB-XVTZWQNCSA-N 442.966 4.705 10 10 IJCE CC(=O)c1ccc(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 1559184038 RXFOCHRNFHCOKF-FQEVSTJZSA-N 442.516 4.541 10 10 IJCE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 1865668286 PNXICFYGRWPDBC-NTEUORMPSA-N 432.879 4.697 10 10 IJCE CC(C)c1ccc(O[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865934535 IDTKRTGYCLNXNA-QFQXNSOFSA-N 437.628 4.987 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)cc1I)CCC[C@@H]2O 2231445530 GLCBHCNCKKHCEY-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1 2293367020 ZZYYVYVMNCWOAH-UHFFFAOYSA-N 449.981 4.946 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1cccc(C)c1C 2297347242 SAGJMVLKVRYJIX-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(F)cc2)cc1 2313683620 KESSNLGGGILIFG-UHFFFAOYSA-N 446.438 4.880 10 10 IJCE O=C1C(=Cc2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C[C@H]1CCCO1 2314648354 XLZZAQYRIDKMDT-GOSISDBHSA-N 439.606 4.605 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1OC 2321646873 SHWHOWOLXNRHQX-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE CSc1ccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 2321734531 UQWGHJKLELRMMM-UHFFFAOYSA-N 428.604 4.651 10 10 IJCE Cc1oc2c(CN3CCN(c4ccccc4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 28890760 IRIJRRJNNLGRIG-UHFFFAOYSA-N 426.516 4.796 10 10 IJCE CC[C@@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 382062587 GKEKBXGBGMLKJJ-NVXWUHKLSA-N 427.383 4.985 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526456664 PZIUPVSOXIOUHW-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CNCc1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 705668260 KDWJPNVTTGMMIQ-GOTSBHOMSA-N 428.418 4.517 10 10 IJCE Brc1cc(CNc2ccc(CN3CCOCC3)cc2)ccc1N1CCCCC1 1657429237 IDMQHJRISDFWDL-UHFFFAOYSA-N 444.417 4.884 10 10 IJCE CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865925960 VQYYRNBXRYLUOZ-HSZRJFAPSA-N 441.575 4.976 10 10 IJCE CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422581 DXXOLTBYXUIZBZ-UHFFFAOYSA-N 449.938 4.968 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNCc1cc(Cl)cc(Br)c1O 2087518747 FWCLZOJYPSUBLC-LRDDRELGSA-N 447.801 4.981 10 10 IJCE CC[C@H](N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21)c1cc(Br)ccc1O 2094643752 WUYNYWOTEPMCND-PLYYQAHHSA-N 425.367 4.593 10 10 IJCE C[C@@H](N)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262752 WTKDBSUPOAEKSZ-PIPMEXSNSA-N 428.418 4.960 10 10 IJCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(C=CC(=O)O)cc2Br)C1 2169009518 RYSFBWZYPQLYQS-IBGZPJMESA-N 429.358 4.648 10 10 IJCE CCOc1cc(C=C2C(=N)N3N=C([C@H](CC)c4ccccc4)SC3=NC2=O)ccc1O 2293287889 JBPXUODMBAZFAP-MRXNPFEDSA-N 434.521 4.604 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cccc(OCCOc4cc(C)ccc4C)c3)C(=O)N=C2S1 2297310387 MKPRBKBEXQDZNC-UHFFFAOYSA-N 448.548 4.790 10 10 IJCE COc1cc(OC)c(-n2c(C)cc(C=C3C(=N)N4C=CSC4=NC3=O)c2C)cc1Cl 2297317055 AGAQJBASUHDLHW-UHFFFAOYSA-N 442.928 4.542 10 10 IJCE Cc1ccnc(NC(=O)CCN2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1 2297498084 KQSQPPUOCKLSOU-UHFFFAOYSA-N 439.606 4.918 10 10 IJCE COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N(Cc3ccc(F)cc3)C1=O)=C2 2314450593 GQKIUEZBZXHMSH-CYBMUJFWSA-N 427.522 4.943 10 10 IJCE CC(C)Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 2314764355 ALJFMVDHRZLLCV-UHFFFAOYSA-N 432.954 4.673 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827905 PAIQTMAHISTTCX-UHFFFAOYSA-N 440.443 4.684 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2341166929 DWXXQYDYJQDETN-CSFVBSKPSA-N 425.367 4.593 10 10 IJCE O=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC(=S)N1c1cccnc1 9097110 WBQQVPSLLLFPHF-NHDPSOOVSA-N 448.525 4.795 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639990 OQJKXQBPKCVLBP-AXHZCLLHSA-N 442.581 4.735 10 10 IJCE O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2 20707121 ZAWOZOGEWIXLGC-FHAGJXEFSA-N 432.545 4.697 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1C 59861793 CNLOVHYCNLKYQX-PDGQHHTCSA-N 431.404 4.978 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Nc2nccs2)c1 96520969 MTXFYYYXYMUUTF-UHFFFAOYSA-N 425.469 4.914 10 10 IJCE COc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1 210673805 JCGPJTLMUAOWOB-CPNJWEJPSA-N 440.590 4.833 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526507092 QFTUVBBGJGMMHH-RUZDIDTESA-N 443.547 4.884 10 10 IJCE CC(C)(C)OC(=O)NCCOc1cccc(NCc2c(O)cccc2Br)c1 706842392 FLSIAFNBKFQJIJ-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE Cc1cc(Br)c(O)c(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 781629722 YTBAVMLQOWXVJP-UHFFFAOYSA-N 440.263 4.957 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nc(Br)cs1 1560744714 VADIZKLHCWBOSW-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2nc(O)c3ccccc3n2)cc1 1641896197 UNLBJHTUWDUFFI-UHFFFAOYSA-N 426.480 4.747 10 10 IJCE COC(=O)c1c(NC(=O)C(=O)NC2CCCCCC2)sc(C)c1-c1ccc(C)cc1 1860760671 CJCLBCNOEYQYNO-UHFFFAOYSA-N 428.554 4.596 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951665755 IPPHBZKEWIUQJX-HXUWFJFHSA-N 433.460 4.542 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079060047 CSHUQQOZCPTFSO-HNNXBMFYSA-N 446.235 4.641 10 10 IJCE CC(C)c1nn(Cc2c(O)cccc2Cl)c(I)c1C(F)F 2079723566 CUYCUMLAHASEBH-UHFFFAOYSA-N 426.632 4.956 10 10 IJCE Cc1cc(O)c([C@H](n2nc(C(C)C)c(N)c2I)C2(C)CC2)cc1C 2079972717 YUTZCXYLFNCRBR-KRWDZBQOSA-N 439.341 4.905 10 10 IJCE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNCc2cccc(Br)c2O)CC1 2178641403 WIPOGAATYPQLSM-LDTOLXSISA-N 445.373 4.668 10 10 IJCE COc1ccc(C=CC(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 2295308699 IJMYKKUHENZLAV-UHFFFAOYSA-N 428.532 4.636 10 10 IJCE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(N(C)C)cc4)S3)CC2)cc1Cl 2296672254 BWXNVVYOIFVGDZ-UHFFFAOYSA-N 441.000 4.507 10 10 IJCE CC(=Cc1ccccc1)C=C1SC(=S)N(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 2296883042 KWWXZVGTEZVDFU-UHFFFAOYSA-N 442.478 4.678 10 10 IJCE N=C1C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=NN12 2297365681 OOCFOPWIZGKVBK-UHFFFAOYSA-N 449.923 4.623 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cccc(OC)c3OC)C2=O)cc1 2313682343 AKRXBYWJQAUXEI-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)ccc1O 2321646767 KVDQJHIDHREYIM-UHFFFAOYSA-N 436.898 4.758 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1 33316818 WWQOSJOSCLOYKX-STZFKDTASA-N 446.434 4.920 10 10 IJCE O=C1/C(=C\NCc2ccc(F)cc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 102793495 RCSUAGJPKJQJLP-CYVLTUHYSA-N 428.492 4.860 10 10 IJCE O=C(O)CN1C(=O)/C(=C/c2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S 1084023626 HUVMZYWXVFLSDP-PSSBZPKESA-N 433.898 4.747 10 10 IJCE CC[C@H](C)N(C(=O)COc1ccccc1OC)c1cccc2c1C(=O)c1ccccc1C2=O 1859910489 JNFSHLXZXAFRLL-KRWDZBQOSA-N 443.499 4.681 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)c1 1860085272 AKZMPBJRRMLLNG-VIZOYTHASA-N 425.865 4.811 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 1865675588 PQRHBZNMPXPJTQ-QGOAFFKASA-N 427.298 4.822 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(C)cc4C)cc3)CC2)cc1 1872870084 JTIZHXSMCWJCGY-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(C)c(C)c4)cc3)CC2)cc1 1872874600 RNSWWUXLVLCLDJ-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CN(C)c1ccc([C@@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044751340 ZSOQXACBDUZSNB-ZEQKJWHPSA-N 439.600 4.596 10 10 IJCE CCC[C@@]1(NCc2cc(Br)ccc2O)CCCN(C(=O)OC(C)(C)C)C1 2101406173 WECXBZLRTSGFAF-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145255625 PVMOSVNNPYFAEG-WEYGHZABSA-N 429.402 4.993 10 10 IJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(Cc2ccccc2F)C1=O 2293727278 URGXWLMKLKQGQM-UHFFFAOYSA-N 442.512 4.680 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)N(c3ccccc3)C2=S)cc1 2296739258 LUDRUBJAQSVJNU-UHFFFAOYSA-N 434.542 4.895 10 10 IJCE COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3cccnc3)S2)cc1 54201499 VAFRORNHQGEVGV-QPHMKDBKSA-N 440.528 4.912 10 10 IJCE Cc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c2C)c1 248124172 UEFATLBOTFWNNI-NRFANRHFSA-N 431.536 4.564 10 10 IJCE N[C@@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)cc(Br)c1O 725274757 RSHPHRYAYFTANV-LBPRGKRZSA-N 441.041 4.864 10 10 IJCE Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 1084546572 RGFPBLIHOYFIOG-KGENOOAVSA-N 433.895 4.756 10 10 IJCE CCCCOc1c(Br)cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)cc1OC 1865667871 UOGZPGLHSXKLOX-ATVHPVEESA-N 443.341 4.896 10 10 IJCE COc1cc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCCC(C)C 2297550815 RRHBZWPSQJPBJK-UHFFFAOYSA-N 449.334 4.888 10 10 IJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314754840 FAWPJUNRKVUOEZ-UHFFFAOYSA-N 442.400 4.774 10 10 IJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1O 2314926424 IUAZGTIVJQWSDT-UHFFFAOYSA-N 426.302 4.803 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNCc1cccc(Br)c1O 2358986086 JMBKBWCWMRPTLT-LESCRADOSA-N 439.394 4.813 10 10 IJCE CCOc1ccc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 33794814 JSUMBMMQVQKWMV-STZFKDTASA-N 441.984 4.840 10 10 IJCE C[C@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccncc3)S2)C1 33808791 MNDGJGRTRLPDKC-JPOGYNCRSA-N 429.549 4.637 10 10 IJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c(OC)c1 205952457 YLOJDXDPUQNUGA-XQNSMLJCSA-N 431.467 4.980 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 213218664 LVTFSNQCZKOQDE-SSZFMOIBSA-N 440.547 4.852 10 10 IJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 226897359 OWEFMRKDYCJYMI-OTNCWRBYSA-N 431.561 4.729 10 10 IJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526493245 IFCNVIZNKMOKFP-DEOSSOPVSA-N 447.487 4.871 10 10 IJCE CO[C@@](C)(CNCc1cc(Cl)cc(Br)c1O)COCc1ccccc1 708206154 XXEZKNISEXGEEF-IBGZPJMESA-N 428.754 4.520 10 10 IJCE CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 726099002 XDNJPMZPVUSVRM-UHFFFAOYSA-N 435.490 4.662 10 10 IJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1C 1084452332 UJBIVVJRSVRPJP-HAHDFKILSA-N 427.504 4.720 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC(NCc3cc(Br)ccc3O)CC2)C1 1254873671 MXOREBGTLJBLOI-UHFFFAOYSA-N 439.394 4.814 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)nc3O)CC2)cc1 1359816671 PAIPQMBPRSOZFQ-UHFFFAOYSA-N 437.927 4.515 10 10 IJCE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1597090392 XUMLTAJAMJZBHE-MQMQVCBVSA-N 435.442 4.902 10 10 IJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](c5ccco5)C4)nc(C(C)C)n3)CC2)cc1 1869102797 YEQQSEQBQHRXMN-FQEVSTJZSA-N 447.583 4.522 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CC(=O)O)cc2Br)C1 1911889591 WEVKBYUUPNDENY-KRWDZBQOSA-N 429.358 4.505 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCc1ccccc1)c1cc(Cl)cc(Br)c1O 1951734202 ZREWCIPTGSTUET-HNNXBMFYSA-N 442.693 4.640 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@H](O)c1ccc(N2CCCCC2)cc1 2044734069 RYDUXOWHJDLHJT-BJKOFHAPSA-N 440.584 4.820 10 10 IJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)c(O)c1 2079024494 FLCUPYANZGCWSE-INIZCTEOSA-N 437.325 4.525 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079992588 GKLBHQQIBUYGQQ-GOSISDBHSA-N 437.334 4.659 10 10 IJCE CC(C)(C)OC(=O)N1CCCC2(CC(NCc3cc(Br)cc(F)c3O)C2)C1 2159612290 LXQWKXZPJYVYLM-UHFFFAOYSA-N 443.357 4.563 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2c(O)cccc2Br)C[C@@H]2CCCC[C@@H]21 2240992685 BFEYKEJIIOEFHJ-MPGHIAIKSA-N 439.394 4.813 10 10 IJCE COc1cccc(C(=O)Oc2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 2293993158 PPFWKASQLZTQHA-UHFFFAOYSA-N 442.471 4.729 10 10 IJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(CC)cc4)c3C)C2=O)cc1 2296397871 DEGLKARPKGWVOF-UHFFFAOYSA-N 441.531 4.885 10 10 IJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314837919 YICJNEDPSCAJHE-GFCCVEGCSA-N 432.954 4.582 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473531 ZWGDWFRNUNFMOK-GSHUGGBRSA-N 441.915 4.841 10 10 IJCE CCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33313511 DHFPHGAEDCLYMQ-MXBYZYADSA-N 439.558 4.925 10 10 IJCE COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 33468397 VJXQGQXLUJQAEQ-ITRAFESCSA-N 426.310 4.883 10 10 IJCE COc1ccc(N2CCN(C(=O)CSC(c3ccccc3)c3ccccc3)CC2)cc1 39569952 TXBOBLGLCUQKJA-UHFFFAOYSA-N 432.589 4.867 10 10 IJCE Cc1ccc(COc2ccccc2/C=C2\SC(Nc3ccccc3C(N)=O)=NC2=O)cc1 39869828 WLVDYFWSWLZYEG-HMAPJEAMSA-N 443.528 4.755 10 10 IJCE Cc1ccc(CN2C(=O)/C(=C/c3nc(C#N)c(N4CCCCCC4)o3)SC2=S)cc1 213216006 FPWFSXRBDOAHAM-PDGQHHTCSA-N 438.578 4.637 10 10 IJCE C[C@@H](Nc1ccc(I)c(Br)c1)c1ccc(O)cc1O 381844822 RUUZPVKFZNMLGC-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)cc1 743219921 GSFSGOBJNUQWPN-UHFFFAOYSA-N 438.915 4.890 10 10 IJCE CCNC(=O)Nc1cccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1C 788727571 HGXUVGXSQZOSND-UHFFFAOYSA-N 433.556 4.908 10 10 IJCE Brc1cccc(C[C@@H](CC2CC2)NCc2ccc(N3CCOCC3)cc2)c1 1656106729 KYNDOWZXHPJBAD-JOCHJYFZSA-N 429.402 4.787 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 1860085624 FQOLQLUYAYNIQV-LDADJPATSA-N 442.518 4.958 10 10 IJCE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(C(C)(C)C)cc1 1862364661 AUYGCPPPLCWUGZ-UHFFFAOYSA-N 446.595 4.839 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(C3CCCC3)C2=O)cc1 1873164129 NLVNRFVQVJUKDR-UHFFFAOYSA-N 439.559 4.906 10 10 IJCE CC1(C)C[C@H](CNCc2ccc(Br)cc2O)CN(C(=O)OC(C)(C)C)C1 2115929888 YSBLFAFXSZHWDL-CQSZACIVSA-N 427.383 4.528 10 10 IJCE NCc1ccc(N2CCCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2164878081 IQRIZXUEADZBKW-UHFFFAOYSA-N 438.360 4.646 10 10 IJCE C[C@H](Nc1ccc(Br)cc1I)c1cc(O)ccc1O 2231664301 BWRKPIRDSLRWTH-QMMMGPOBSA-N 434.071 4.638 10 10 IJCE CN(C)c1ccc(C=CCN2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccccc2)cc1 2297529211 BZYMQXMRNZWJHP-SANMLTNESA-N 431.624 4.617 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935231 OBTHNMVKXHRSFG-CQSZACIVSA-N 443.546 4.651 10 10 IJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1O 20071131 TXMIUOZIVKWGQE-DFBJGRDBSA-N 432.476 4.666 10 10 IJCE CCCCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 59396957 BHWBQRGCGQDUMT-CPNJWEJPSA-N 445.562 4.994 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccnc2)N3)cc1 226897348 DXMILAKBEOWIPD-PQNGQFLHSA-N 433.533 4.718 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 250651593 QLCIFXRDEDEWDD-SLSDLSHTSA-N 432.545 4.740 10 10 IJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@H]1c1ccc(O)c(O)c1 526185302 KGQKNIWARGYNGF-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE Cc1ccc(F)c(O)c1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687756106 SUDFLPSISBUGFY-OAQYLSRUSA-N 435.451 4.894 10 10 IJCE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708077603 SSMPVATXCCZZSR-LRDDRELGSA-N 447.801 4.981 10 10 IJCE Cn1ncc(Br)c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 779204708 RWHXLEFOJGIFJC-WUXMJOGZSA-N 448.289 4.607 10 10 IJCE CC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)ccc1F 1635101813 CSVLVYZYWUZUMO-UHFFFAOYSA-N 430.277 4.846 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 1860086740 DPRHURDUHUAZPM-GZTJUZNOSA-N 428.491 4.567 10 10 IJCE Cc1cc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)ccc1[N+](=O)[O-] 1860087548 FXBRKHBQQDJDCR-OVCLIPMQSA-N 435.870 4.871 10 10 IJCE CC(C)[C@@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCN1C(=O)OC(C)(C)C 2126371730 LKLHAJKMXYOUFB-JKSUJKDBSA-N 447.801 4.932 10 10 IJCE CC[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1)c1cc(Br)ccc1O 2154820457 VIVYJQGBQUTUJS-NVXWUHKLSA-N 439.394 4.985 10 10 IJCE COc1ccc(Br)c(CNC[C@H]2CN(Cc3ccccc3)C(C)(C)C2)c1O 2236051691 WOBUOZXCUPYGPP-KRWDZBQOSA-N 433.390 4.554 10 10 IJCE CC[C@H](N[C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271270861 KLULFBJSINEXEC-COXVUDFISA-N 427.383 4.983 10 10 IJCE CCCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 2293115993 JMGSXGRHOHFJRZ-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2O)c(C(=O)O)c1 2297692593 JFQFNMVEUZCUNA-UHFFFAOYSA-N 433.504 4.822 10 10 IJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 64872616 AIOUOCSDIPXKHI-UHFFFAOYSA-N 443.595 4.523 10 10 IJCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)cc1 96714273 VHAOFMZFOPBAAR-QRVIBDJDSA-N 447.922 4.708 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CCNCc1ccc(Br)cc1O)c1ccccc1 691397131 WUWAQWVQZFSOHV-GOSISDBHSA-N 435.362 4.900 10 10 IJCE COc1ccc(C)cc1C1(CN[C@@H](C)c2cc(Br)ccc2O)CCOCC1 756455478 STGBEJKVHBJJHA-INIZCTEOSA-N 434.374 4.871 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865677832 FUUJAAQNUNIXMG-XDHOZWIPSA-N 449.850 4.797 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)N2CCCCC2)cc1 1866055592 YIGJORWATYOJAX-GPXNEJASSA-N 426.004 4.853 10 10 IJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3Cl)n2)c1 1891969055 ATKKBNBUBKAAFV-UHFFFAOYSA-N 430.294 4.826 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(CCNCc2cc(Br)cc(F)c2O)c1 1962853949 MRSDDEIRLMAYSY-UHFFFAOYSA-N 439.325 4.973 10 10 IJCE CC(C)(C)OC(=O)N1CCCC12CCC(NCc1cccc(Br)c1O)CC2 2167903313 OUUJHCJHPVBPMP-UHFFFAOYSA-N 439.394 4.957 10 10 IJCE CCCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br 2188878865 POFYSDBIJIWEJX-OFNKIYASSA-N 428.418 4.659 10 10 IJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC2Cc3ccccc3C2)cc1 2313710631 SPKOMDDRDDPQGX-UHFFFAOYSA-N 441.506 4.616 10 10 IJCE COc1cc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)ccc1OC(=O)c1ccccc1 2332134137 NZURXKZRSCBRPF-UHFFFAOYSA-N 446.425 4.714 10 10 IJCE Cc1ccc(CNC[C@H]2CCC(C)(C)N2C(=O)OC(C)(C)C)c(O)c1Br 2352672308 QXUGLQRQOZVHME-OAHLLOKOSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)c1Br 2352946620 LXVPQAQYOJMMOI-CVEARBPZSA-N 427.383 4.779 10 10 IJCE O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639538 MBAJXEBXRJMMAI-AXHZCLLHSA-N 440.565 4.535 10 10 IJCE CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469244 AOBHQDCUPNLYNE-RNHFSVANSA-N 434.536 4.929 10 10 IJCE CCc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526232225 PBRGSRLOUURRGQ-DEOSSOPVSA-N 447.487 4.735 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O 1473387062 RHWYPLFJSDEYDE-UHFFFAOYSA-N 436.980 4.861 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCCc3ccc(C(C)(C)C)cc3)cc2)CC1 1634074455 OFKCPTQTUSHMCM-UHFFFAOYSA-N 449.639 4.682 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O 1646091403 UIZZTWZTBBTXGC-UTKZUKDTSA-N 434.552 4.736 10 10 IJCE CCc1nc2ccc(C)cc2c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c1C 1866270958 LLIWIXWXVRWBLC-RUZDIDTESA-N 441.579 4.733 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1C 2294277074 WFFZOTGPLLDLJH-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)cc2)SC1=S 2296701646 UZSINCNIRZEOGN-UHFFFAOYSA-N 425.531 4.535 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S 2313533003 HUVMZYWXVFLSDP-UHFFFAOYSA-N 433.898 4.747 10 10 IJCE COC(=O)c1ccc(COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)o1 2331594862 KUMCWMFGUVBYMI-UHFFFAOYSA-N 431.535 4.502 10 10 IJCE CCC[C@H](CC(=O)N(C)Cc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2381129943 RPCWHTMKTNLFDK-OAHLLOKOSA-N 443.382 4.505 10 10 IJCE Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 33338485 DBXNRMKMCHSRRI-YBFXNURJSA-N 438.530 4.909 10 10 IJCE CC1=CSC2=NC(=O)/C(=C/c3c(-c4ccccc4)nc4sc(C5CC5)nn34)C(=N)N12 102470649 HCFNAPOOXVUEMP-BQLOJNAPSA-N 432.534 4.502 10 10 IJCE Cc1cc2c(n1-c1cc(I)ccc1Br)CCCC2=O 311535154 HRDICTPSVYVJRW-UHFFFAOYSA-N 430.083 4.672 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)N3CCC(N4c5ccccc5C[C@@H]4C)CC3)ccc21 590705044 MKZLOFHFJBHMNU-IBGZPJMESA-N 445.607 4.960 10 10 IJCE CCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 702070408 BBQAZSMWNDRWPZ-OFNKIYASSA-N 428.418 4.517 10 10 IJCE CC(C)CNCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1Br 706714870 HIBTXDCOJVPRSX-UHFFFAOYSA-N 428.418 4.517 10 10 IJCE Brc1cc(CNc2ccccc2Cn2cncn2)ccc1N1CCCCC1 1308322570 IIEKMPJRDOJBLX-UHFFFAOYSA-N 426.362 4.691 10 10 IJCE CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 1628911675 CXHFWLIUELXDRM-UHFFFAOYSA-N 442.519 4.526 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1ccccc1O 1984692443 NYFVFDMRTFJNCD-ROUUACIJSA-N 444.531 4.839 10 10 IJCE CC1(c2nn(Cc3cccc(Cl)c3O)c(I)c2C(F)F)CC1 2079769395 UKEKECWVWKPPST-UHFFFAOYSA-N 438.643 4.884 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N2O1 2297347505 CGAYTDXZWJTHLV-UHFFFAOYSA-N 437.883 4.638 10 10 IJCE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2314650671 VRJHLEKNZMRGDA-SECBINFHSA-N 427.425 4.640 10 10 IJCE COc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1O 2332100158 RJNLPUYFGSQLLQ-UHFFFAOYSA-N 441.203 4.512 10 10 IJCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2(C)C)c(O)c1Br 2352682298 ZGESOJXESHIGEY-HNNXBMFYSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CNC[C@@H]2CCC3(CCC3)N2C(=O)OC(C)(C)C)c(O)c1Br 2381136253 CLKVGOUIHJZTKP-INIZCTEOSA-N 439.394 4.875 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2)N1CCc2ccccc21 20679602 HNEIPQCQUGHJHU-XLGIIRLISA-N 444.556 4.970 10 10 IJCE C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4nc5ccccc5s4)o3)S2)C[C@@H](C)O1 33861180 XITKZEASRFBLEA-RZJAJNODSA-N 425.535 4.636 10 10 IJCE CN1CCC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 742372533 CPHHPRABDOYBHU-WMZHIEFXSA-N 428.602 4.819 10 10 IJCE CCN(CC)c1ccc([C@@H]2NCCc3nc4c(OCc5ccccc5)cccn4c32)cc1 821244164 WRWHLQKQOLVJHP-VWLOTQADSA-N 426.564 4.995 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1sccc1Br 1881484477 XXICZFWCYFHUKQ-INIZCTEOSA-N 440.407 4.672 10 10 IJCE COCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C 2034750953 NBOLKZWEGQUWBJ-UHFFFAOYSA-N 431.624 4.870 10 10 IJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C)cc2O)c1Br 2079035843 LXBGMJLOVXHZQP-NSHDSACASA-N 435.240 4.855 10 10 IJCE CC(C)(C)OC(=O)NCC1(CNCc2c(O)cccc2Br)CCCCC1 2098646637 JGFIMPIZLIYTPV-UHFFFAOYSA-N 427.383 4.720 10 10 IJCE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2cc(Br)cc(F)c2O)C1 2156500124 TYBKRBJNOZFMCH-BBRMVZONSA-N 445.373 4.857 10 10 IJCE CN[C@@H](c1ccccc1O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237401631 ZUKQTKFDZBILQN-MJGOQNOKSA-N 435.362 4.551 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 2297468278 STPMYQSBFKMZBD-UHFFFAOYSA-N 443.985 4.996 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc(O)cc1 2314827713 KSXNGNVHWNNLKJ-UHFFFAOYSA-N 439.345 4.539 10 10 IJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccnc2)N3)cc1 14547133 DXMILAKBEOWIPD-DPLHUUCSSA-N 433.533 4.718 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3C)c(OC)c2)SC1=S 102445559 JEZUMFADONFGAG-XSFVSMFZSA-N 429.563 4.683 10 10 IJCE CNCc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 714993576 SOVLRPXQFITAKG-UNMCSNQZSA-N 428.418 4.659 10 10 IJCE O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(O)nc2ccc(Br)cc12 807837195 GGNNZZBDCMALMT-UHFFFAOYSA-N 442.096 4.645 10 10 IJCE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 1088671145 OYDLFMFAAKNODJ-NCELDCMTSA-N 427.548 4.620 10 10 IJCE CC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)nc1C 1636439750 WCFOVVVRZZZOMW-UHFFFAOYSA-N 440.341 4.693 10 10 IJCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cc2ccncc2)cc1 1860085636 HBODRDNAHZZDPG-XSFVSMFZSA-N 433.514 4.986 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NCc1ccc(Br)cc1O 1924845370 PFQZXHCNRYNELA-CRAIPNDOSA-N 439.394 4.718 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2027283300 IQSCXTFVWXZNBF-IAQYHMDHSA-N 433.774 4.591 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148938794 LAKKAWZMIPWLAX-LMNJBCLMSA-N 428.418 4.817 10 10 IJCE CC1(C)C[C@H](CNCc2cc(Br)cc(F)c2O)CN(C(=O)OC(C)(C)C)C1 2172556643 IXQPOPIOWQXGGF-CYBMUJFWSA-N 445.373 4.667 10 10 IJCE COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1ccccc1Cl 2297347374 LQQDFKJEXJVBQO-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE C[C@H](N)c1cnc(Sc2cc(I)ccc2Br)s1 2300802985 HRKOZIMIDBTOPU-LURJTMIESA-N 441.157 4.681 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1 2313540975 GZIPMIGOIWPLLT-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314768646 LPIGLBFKUKCIRD-INIZCTEOSA-N 448.363 4.565 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3C(C)C)C2=O)cc([N+](=O)[O-])c1O 2321666865 WEGNLLCIURFSNQ-UHFFFAOYSA-N 430.507 4.838 10 10 IJCE CC[C@@]1(CNCc2ccc(C)c(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2380811856 PLJRJTYUPGKAEE-NRFANRHFSA-N 441.410 4.980 10 10 IJCE CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 72050809 YLQQHHMBJJIGAT-UHFFFAOYSA-N 434.487 4.909 10 10 IJCE Cc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)n1-c1cccc(Br)c1 108671538 VGPAQKVFWMMRAA-UHFFFAOYSA-N 429.362 4.641 10 10 IJCE CCCNC(=O)OCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 222967784 WIVQCCRXCXERSK-UHFFFAOYSA-N 440.565 4.535 10 10 IJCE C[C@H](N)c1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312432425 BHKXHOKOVYVHOW-SFHVURJKSA-N 428.418 4.961 10 10 IJCE COc1ccc([C@@H](C)Nc2cc(Br)ccc2I)c(O)c1 380410837 HGLYAVZDLAAXLP-SECBINFHSA-N 448.098 4.941 10 10 IJCE CC[C@@]1(CNCc2cc(Br)ccc2O)CCCN(C(=O)OC(C)(C)C)C1 381633333 BZBABEAQIQXMSS-FQEVSTJZSA-N 427.383 4.672 10 10 IJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 1084228139 FAHZKBXNJOQPOS-BKUYFWCQSA-N 432.863 4.585 10 10 IJCE Cc1cc(C(=O)N2CCCc3ccnc(O)c32)c(C)n1-c1cccc(Br)c1 1168621592 TWOCWRPPEOKUGN-UHFFFAOYSA-N 426.314 4.550 10 10 IJCE COc1ccc(N2CCN(C(=O)c3c4c(nc5ccc(Cl)cc35)CCCC4)CC2)cc1 1866403877 OMAHUCSKOGJWDK-UHFFFAOYSA-N 435.955 4.738 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2Br)c(O)c1 2079037454 JIJAYGGBNKCTKR-ZDUSSCGKSA-N 433.224 4.766 10 10 IJCE CCN1C(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)SC1=S 2297303006 FENZKTBTKXVYOA-UHFFFAOYSA-N 441.315 4.772 10 10 IJCE CCCCCC1(C)OC(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)C(=O)O1 59513136 JWNPPVYQQDFSLX-UHFFFAOYSA-N 438.476 4.694 10 10 IJCE CC(C)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 65096261 TYSTUOADAKWMAD-UHFFFAOYSA-N 430.957 4.853 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2cccnc12 96576379 BKFBNOVPYHRNEC-FOWTUZBSSA-N 425.560 4.526 10 10 IJCE Cc1ccc(-c2onc3ccc(/C=C4\SC(=S)N(CCCC(=O)O)C4=O)cc23)cc1 203059029 DMXGADFHPOPBCC-PDGQHHTCSA-N 438.530 4.869 10 10 IJCE CC(C)CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)cc1Br 382759893 YJJVYIBRZGPMCG-LJQANCHMSA-N 430.434 4.905 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526296500 JKOAAUJBBWZYFL-DEOSSOPVSA-N 430.504 4.827 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(F)c1O 687735824 GUOPJZREZJJKIE-NRFANRHFSA-N 439.414 4.725 10 10 IJCE Brc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1N1CCCCC1 1620746627 ULWJCFQQJUPBCF-UHFFFAOYSA-N 444.417 4.566 10 10 IJCE CCOCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858589717 GSXMYFBAFFBSNS-RCCKNPSSSA-N 443.590 4.902 10 10 IJCE COc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1Cl 1873938795 GIKBBTNQHVARHD-UHFFFAOYSA-N 430.847 4.629 10 10 IJCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1cc(Cl)cc(Br)c1O 1965955704 ANFQCAQENRCKPS-IAQYHMDHSA-N 433.774 4.543 10 10 IJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044750203 MEJAJOSRBMLPJB-ZEQRLZLVSA-N 441.616 4.903 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C=O)c1I 2079970308 QFPYAXYAATXIHJ-OAHLLOKOSA-N 426.298 4.745 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080008477 TUWIATXUWKRGBZ-KRWDZBQOSA-N 433.346 4.806 10 10 IJCE CN[C@@H](C)c1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2149560654 CPFGOLIRLZDPPQ-INIZCTEOSA-N 438.360 4.687 10 10 IJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S 2296700337 ZHHGIRCRTFGDDU-UHFFFAOYSA-N 442.518 4.815 10 10 IJCE Cc1ccccc1N1C(=O)C(=C2SC(=S)N(c3ccccc3C)C2=O)SC1=S 2296883367 VAPYMIFDHSSPML-UHFFFAOYSA-N 442.612 4.945 10 10 IJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C(=O)NC1=S 2313656559 DVTSSJFOXWCBSW-UHFFFAOYSA-N 435.593 4.788 10 10 IJCE COc1ccc(C2=C(C)C(Nc3ccccc3C(=O)c3ccccc3)=NS2(=O)=O)cc1 9251721 HHQJAGHLFNZOLP-UHFFFAOYSA-N 432.501 4.511 10 10 IJCE CCOc1ccc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc1 59862145 STNMRNKUTQQRDZ-WJDWOHSUSA-N 443.297 4.971 10 10 IJCE CN(C)c1ccc(/C=C2/SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 97371847 YXZSMNVVYOQILC-GZTJUZNOSA-N 448.411 4.786 10 10 IJCE CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1C 209579478 QRHZFLXVFCFCBX-JCMHNJIXSA-N 441.531 4.940 10 10 IJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 210700137 HDPIJOFSFQFMGI-XMHGGMMESA-N 426.563 4.624 10 10 IJCE CC(C)NCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 707848528 HLBIQMHXDVHQPN-NHCUHLMSSA-N 428.418 4.515 10 10 IJCE C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccc(N2CCCC2=O)cc1 765351026 MAYMDESRPUPENQ-ZWKOTPCHSA-N 427.976 4.715 10 10 IJCE CN(C)c1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC2(c3ccccc3)CC2)cc1 1083575046 XRBVCEPLUMHEIJ-LOSJGSFVSA-N 440.543 4.850 10 10 IJCE Brc1cc(CNCCCn2cnc3ccccc32)ccc1N1CCCCC1 1560251707 BQZNLQNBCAQAIE-UHFFFAOYSA-N 427.390 4.969 10 10 IJCE CC[C@@H](C)N(C(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859916574 AVWSXSRMRLRABQ-QGZVFWFLSA-N 427.500 4.845 10 10 IJCE CC[C@@H](C)N(C(=O)COc1ccccc1OC)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917048 JMZHNNJLOUTPOD-QGZVFWFLSA-N 443.499 4.681 10 10 IJCE COc1cccc(O)c1[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951667419 PYYZFBSLXOVKBR-NRFANRHFSA-N 447.487 4.845 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC)c1cc(Br)ccc1O 2140650033 JSBMZGHDFKEDFX-ZOBUZTSGSA-N 445.423 4.546 10 10 IJCE CCN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1Br 2160684104 UKBLBIDMVZPBLB-CUWPLCDZSA-N 428.418 4.830 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163306816 MSSMZGSJBRIDSS-FDDCHVKYSA-N 428.418 4.961 10 10 IJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 2296945938 XNXMRAKPRJAOJP-UHFFFAOYSA-N 441.487 4.805 10 10 IJCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 2297302830 UEPQKDCLVCFXMK-UHFFFAOYSA-N 431.404 4.668 10 10 IJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)cc2)SC1=S 2314768963 MUCNVBBHECFCQA-FQEVSTJZSA-N 441.574 4.979 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(O)cc2)C1=O 1147195 KVRAWKTVWVOQJW-NVVUQHMZSA-N 438.574 4.959 10 10 IJCE CNc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O 33607583 FUEWBVOCEJFBHF-UHFFFAOYSA-O 428.556 4.582 10 10 IJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1Cl 107981664 WTQDNAXMBRTICO-MSOLQXFVSA-N 438.877 4.615 10 10 IJCE COc1ccc(-c2nc(NS(=O)(=O)c3cc(C)c(C)cc3OC)sc2C)cc1C 170550910 JQAUVWROFOEUHC-UHFFFAOYSA-N 432.567 4.862 10 10 IJCE C[C@@H](NC(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1)c1ccc(N2CCOCC2)cc1 206987910 AYOWYYHOPQNETD-SWRMPZFOSA-N 447.510 4.740 10 10 IJCE CCNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 383799804 YPWGGSVHLIACFY-RTWAWAEBSA-N 428.418 4.517 10 10 IJCE CC(C)(C)OC(=O)N1Cc2ccc(CNCc3ccc(Br)cc3O)cc2C1 691394310 CHWKEIIALOSSNF-UHFFFAOYSA-N 433.346 4.695 10 10 IJCE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(COc2ccccc2)cc1 761001624 AQTNKVWIVRBKCK-UHFFFAOYSA-N 436.895 4.589 10 10 IJCE Cc1cc(CCNC(=O)c2ccccc2COC2CCOCC2)c(C)n1-c1ccccc1 768898758 CARHTCYWDDYCAO-UHFFFAOYSA-N 432.564 4.762 10 10 IJCE C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc4ccccc4nc3O)cc2Cl)C1 1235836216 YUWNNZGDKMFOLM-INIZCTEOSA-N 438.959 4.830 10 10 IJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccc(O)cc1 1860075297 HNJBTFGBDGCWMJ-AWNIVKPZSA-N 442.743 4.920 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(C)cc4OC)cc3)CC2)cc1 1872872384 SVXMEKUMPWBMDX-UHFFFAOYSA-N 446.547 4.554 10 10 IJCE [N-]=[N+]=NCC1CCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902270813 NOLIFWLSUHBNAK-UHFFFAOYSA-N 445.523 4.607 10 10 IJCE Cc1c(C2CCC2)nn(Cc2cccc(Br)c2O)c1I 2079796656 PVPFNQAMCDMKQL-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Br)ccc3O)CCC[C@@H]12 2098313780 SMHQCKNXFOVVLE-XLIONFOSSA-N 425.367 4.567 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2ccccc2c1 2296390177 YSUGJUPTBAILIY-UHFFFAOYSA-N 439.471 4.502 10 10 IJCE Cc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2297457950 XGXJOXMVDCIGCG-UHFFFAOYSA-N 426.303 4.862 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Br 2297511409 IVVSEQWWDVQHMH-UHFFFAOYSA-N 435.119 4.930 10 10 IJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)ccc1OCC(C)C 2313549028 LMGIVPNSVDMIKP-UHFFFAOYSA-N 444.487 4.550 10 10 IJCE CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccn3)N=C2CC)cc1OC 2332114445 DNLVVKOEMURQST-UHFFFAOYSA-N 444.329 4.838 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2332140568 RFRHTPXGNIONES-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE CCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cc(F)cc(F)c3)ccc21 3586093 XPIXQBNOZKNPHF-UHFFFAOYSA-N 433.568 4.973 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 14465576 LCJPYXXTZXYWQZ-QUZFRVLNSA-N 444.984 4.624 10 10 IJCE Cc1cc(C(=O)COC(=O)CCc2cc3ccccc3nc2O)c(C)n1-c1ccccc1 767790464 YKBLRXBNKZASRZ-UHFFFAOYSA-N 428.488 4.707 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)c(C)c1 1084067064 OYPGCULNLPMKCC-QNGOZBTKSA-N 426.472 4.549 10 10 IJCE CCn1c(O)nc2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)cc21 1639533522 KYVKTVJWFUYNOZ-OAHLLOKOSA-N 426.948 4.582 10 10 IJCE FC(F)(F)c1ccc(Cl)c(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 1860483729 HGXXKLAGWYMMPQ-OCOZRVBESA-N 426.826 4.904 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(C)c4C)cc3)CC2)cc1 1872882308 DCGUMMJZCSOBRW-UHFFFAOYSA-N 429.564 4.887 10 10 IJCE Cc1ccc(O)c(Cn2nc(C(C)(C)C)c(I)c2C(F)(F)F)c1 2078994546 OTWPFOLAAHRDHX-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(F)F 2079716502 CNGDNBIZAAFTNL-UHFFFAOYSA-N 446.157 4.760 10 10 IJCE O=C(NN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S)c1cccc(Cl)c1 2314765258 YUDSNYSQSHCKFK-UHFFFAOYSA-N 427.309 4.679 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)c1 2321683394 VYQLOZYZVHKQAW-UHFFFAOYSA-N 433.938 4.931 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)N(C)C)cc1 2323879842 KZJPUZRPGMZJKD-GOSISDBHSA-N 432.998 4.853 10 10 IJCE Cc1cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c(C)n1-c1ccc(Cl)cc1 9252059 MFQJEHWNUWDXEN-UHFFFAOYSA-N 426.885 4.680 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1 100275540 AAWJMNQEQYAEEC-GZTJUZNOSA-N 432.701 4.980 10 10 IJCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccccc1Cl 101112386 DEPKNOMKHUUMMW-GXDHUFHOSA-N 437.668 4.663 10 10 IJCE COC(=O)c1c(NC(=O)c2cccc(NC(N)=O)c2)sc(C)c1-c1ccc(C)c(C)c1 586638002 FTQVOJMJMJONMO-UHFFFAOYSA-N 437.521 4.870 10 10 IJCE Cc1ccc2nc(CN[C@H](C)c3cc(Br)cc(Br)c3O)[nH]c2c1 756626260 BLOPZDPOOPUTSL-SNVBAGLBSA-N 439.151 4.953 10 10 IJCE Cc1oc(-c2cccc(F)c2)nc1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868167119 PZXCEQWDJPVKKU-UHFFFAOYSA-N 440.430 4.746 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)[C@@H]1C(C)(C)C 1877293156 WBNPPBYFXQKVJB-NVXWUHKLSA-N 427.383 4.668 10 10 IJCE CC1(c2nn(Cc3cccc(Cl)c3O)c(I)c2C2(C)CC2)CC1 2079753940 RSUHEMBGSATDDT-UHFFFAOYSA-N 442.728 4.998 10 10 IJCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079984912 IWOXOKYXIGQOTL-QGZVFWFLSA-N 439.350 4.734 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CCCNCc2cccc(Br)c2O)cn1 2169168900 JNGJDPKUQBTJGL-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)CCCOCc3ccccc3)cc2)CC1 2258197673 HTVWFWZFOSOYGN-XMMPIXPASA-N 439.600 4.741 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCc1ccccc1 2296755524 ILSUKWIANZRDED-UHFFFAOYSA-N 445.009 4.680 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 2297310444 ZQMNLWWZLHZGKS-UHFFFAOYSA-N 445.470 4.838 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2297450289 WFKYPGDNSWJXCV-UHFFFAOYSA-N 439.345 4.548 10 10 IJCE CC1=NN(c2ccc(F)cc2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2297452803 QPABHDPQUKISAW-UHFFFAOYSA-N 448.310 4.791 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)c1 2313541000 JEEWUJPJLYUDEA-UHFFFAOYSA-N 446.890 4.894 10 10 IJCE CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560578 YKSWBNJFFUTWHM-UHFFFAOYSA-N 443.503 4.501 10 10 IJCE CCOc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 2314932092 KINPWKFLKCLLQL-CQSZACIVSA-N 443.546 4.511 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1cccc(Cl)c1 2332127238 BAZNBLWOQNIJEL-UHFFFAOYSA-N 430.891 4.941 10 10 IJCE COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 27521681 QFMYAVBLEWPGRG-STZFKDTASA-N 428.488 4.855 10 10 IJCE COc1cc(N2N=C(C)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Cl 59859029 NRYULAFSVUBTKD-MOSHPQCFSA-N 449.942 4.929 10 10 IJCE CC[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cc(Br)ccc1O 387945872 ZQNVMLFUNMNDNJ-COXVUDFISA-N 427.383 4.983 10 10 IJCE CC[C@@]1(CNCc2cc(Br)cc(F)c2O)CCCN(C(=O)OC(C)(C)C)C1 715711143 DFRCRKXPUKQLDM-FQEVSTJZSA-N 445.373 4.811 10 10 IJCE O=[N+]([O-])c1cccc([C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc2)c1 779022793 GUNNAEJHMHIADI-SANMLTNESA-N 431.536 4.683 10 10 IJCE CC[C@H](Oc1ccccc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O)C(=O)O 1614238856 CGWRHOZVQNYTEI-WZXJJKCOSA-N 427.547 4.891 10 10 IJCE Brc1cc(CNCc2ccccc2Cn2cccn2)ccc1N1CCCCC1 1648735929 JOOQEBXUGTYREF-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 1858586616 DBVVBAKKOVEYST-SFQUDFHCSA-N 439.480 4.994 10 10 IJCE CCOC(=O)C1(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)CCCC1 1866195940 GDWATFLEOVRXNL-UHFFFAOYSA-N 429.538 4.881 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2027286088 JLVMHDPQXPSWEG-GJZGRUSLSA-N 433.774 4.734 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(Br)c1 2151077221 XKXQSEUTCXLTII-HXOBKFHXSA-N 428.418 4.960 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)cc1Br 2151099792 VQFSNDSOQQAQMP-SBUREZEXSA-N 429.402 4.993 10 10 IJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 2296711359 RCZRGXKCCQVRPR-FQEVSTJZSA-N 447.585 4.920 10 10 IJCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 2313682561 GCLWBGBOLZBLCK-UHFFFAOYSA-N 436.270 4.784 10 10 IJCE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@@H]32)cc1 14461661 SOSOCRGBIRWYLQ-AWRGLXIESA-N 425.598 4.610 10 10 IJCE COc1cc(/C=C2/SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc(OC)c1OC 59382216 UOZQMZKYWBBBRJ-YBFXNURJSA-N 444.578 4.600 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3ccc(OC)c(Br)c3)C(=O)N=C2S1 102465624 OKJCJCYNCIXODC-GPBTZJJPSA-N 435.347 4.657 10 10 IJCE O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 504594674 MTBVXVAMYRQPPU-DGTJAMSLSA-N 449.601 4.593 10 10 IJCE CC(=O)CCc1ccc(OCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1524253339 FBOMDAPMDXDWAK-GOSISDBHSA-N 442.987 4.793 10 10 IJCE CC(=O)c1ccsc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1588298817 MDSPOFCLAKMOJP-GXDHUFHOSA-N 436.605 4.632 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1603554237 BDARPGWYXOCVSJ-AREMUKBSSA-N 444.579 4.732 10 10 IJCE Cc1cnc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)nc1O 1652851246 BCJCKJZLDPCHJX-UHFFFAOYSA-N 437.443 4.772 10 10 IJCE COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)c1 1860084691 BUYBSCAENABXFB-AWQFTUOYSA-N 440.546 4.610 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1 1865678342 HJQPXWFACIMTJP-BKUYFWCQSA-N 446.478 4.682 10 10 IJCE COc1cc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)sc2cc1OC 1871333491 YPLWYUFEMZANSD-UHFFFAOYSA-N 443.480 4.946 10 10 IJCE CN(CC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nc2c(Cl)cccc2s1 1891449692 YZKAPEMSGDZTJM-WMZOPIPTSA-N 441.000 4.691 10 10 IJCE CCN(CC)c1ccc([C@@H](O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044730240 MLLOORBIVOKSLC-BJKOFHAPSA-N 441.616 4.592 10 10 IJCE CCCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C)cc2)NC1=S 2297316749 YROIUGWQMYQTMK-UHFFFAOYSA-N 445.382 4.804 10 10 IJCE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1Cl 2313499041 DCGRZYLPBRAYLG-UHFFFAOYSA-N 432.701 4.980 10 10 IJCE CC1CCN(S(=O)(=O)c2ccc(/N=N/c3cc(Br)ccc3O)cc2)CC1 12583229 OKBZAYQITDGEIM-QZQOTICOSA-N 438.347 4.991 10 10 IJCE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1Cl 19855475 JDSCPUMGZKAZNG-UHFFFAOYSA-N 432.911 4.971 10 10 IJCE C[C@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1Cc1ccc(N(C)C)cc1 37356548 FEMPZRMHNOBNON-SFHVURJKSA-N 437.975 4.699 10 10 IJCE Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S 39861739 QIZHNVAWYIFSAB-QVOHYOOSSA-N 426.475 4.563 10 10 IJCE CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 59372384 WQYJYUYPQVMECO-BOPFTXTBSA-N 432.954 4.788 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226795847 PGLHIPQGTYVVLQ-LVCYWYKZSA-N 447.398 4.962 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526227191 POECCYWDBRDWAK-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NCc2cc(Cl)cc(Br)c2O)C1 708193781 WRQBWPRNAKEBJW-DJJJIMSYSA-N 445.785 4.687 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)cc2)CC1 1638586906 DVGHRJMKMRYGGO-CLJLJLNGSA-N 447.623 4.581 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C1=O)cn2C 1858589658 DIOAXMCNGMNURM-DJKKODMXSA-N 443.638 4.697 10 10 IJCE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)CC1=O 1865922220 JCNIXOPCCYXLPX-LJQANCHMSA-N 429.520 4.924 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1ccsc1Br 1881499239 HQMAFIAGDDHQTO-MRXNPFEDSA-N 440.407 4.672 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952879933 BROPPRGONMVDOF-ISKFKSNPSA-N 447.487 4.756 10 10 IJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1999527740 RHQNMIVBDSZDOA-XZOQPEGZSA-N 427.589 4.513 10 10 IJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(N)c2I)c(O)c1 2078983811 JSIAIYFVAYGHIE-KRWDZBQOSA-N 425.314 4.597 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ncccc2C)cc1 2313682745 JURGMQMXWFYSBV-UHFFFAOYSA-N 428.492 4.544 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)ccc1O 2332094792 ICPMCXOOWJEDLN-UHFFFAOYSA-N 442.796 4.928 10 10 IJCE Cc1ccc(CN[C@@H]2CCCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352942422 DXZLGHXAYXRHJA-MRXNPFEDSA-N 427.383 4.732 10 10 IJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)ccc1O 20071146 VQGQNQAGLUBZIK-UQBPGWFLSA-N 432.476 4.666 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(Br)ccc1O 311290876 AAMXJHPVXASHFI-KMFMINBZSA-N 427.383 4.983 10 10 IJCE CC[C@H](NCc1cc(C)cc(Br)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 781637956 ZVGUUDBQUVMERG-VQTJNVASSA-N 429.362 4.521 10 10 IJCE Brc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCSCC3)cc2)cc1 1461052206 CUBIOSQFKWWYQL-UHFFFAOYSA-N 443.414 4.682 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OCC 1860085601 CYRFGASTTGZCAD-CPNJWEJPSA-N 443.546 4.978 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)COc2cccc3ccccc23)N2CCCCC2)cc1 1866166489 GAXVUXACOUCIKJ-RUZDIDTESA-N 431.580 4.628 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(F)c1O 1951659023 VOARZJWOEYBULJ-MRXNPFEDSA-N 440.265 4.516 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1cccc(Br)c1O 2127868353 FIMOCQNMXWVANC-MRXNPFEDSA-N 427.383 4.670 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 2293201977 BUISGBIVUVZQCP-UHFFFAOYSA-N 429.563 4.649 10 10 IJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 2297347520 DITCJLQCOYGAKI-UHFFFAOYSA-N 437.883 4.686 10 10 IJCE Cc1ccccc1N1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)N(c2ccccc2)C1=S 2297534136 NBVHLTQMPUIRNU-UHFFFAOYSA-N 441.556 4.809 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S 2314761302 RRZNYXUVYAQQJK-UHFFFAOYSA-N 436.558 4.756 10 10 IJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 2323790757 HIOGMROZYZGQMY-LPHOPBHVSA-N 446.638 4.714 10 10 IJCE CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124791 PRCJEJRFFDVCQJ-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1Cc1ccccc1Cl 2332127331 MSRRTEKHOVNSML-UHFFFAOYSA-N 430.891 4.941 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 2332147801 YOGLMRNBWGEOIG-UHFFFAOYSA-N 427.195 4.932 10 10 IJCE CCC[C@@H](CC(=O)N(C)Cc1ccc(C)c(Br)c1O)NC(=O)OC(C)(C)C 2380787335 RPCWHTMKTNLFDK-HNNXBMFYSA-N 443.382 4.505 10 10 IJCE Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 34387652 PJODPRGIZWDBFL-MHWRWJLKSA-N 447.379 4.597 10 10 IJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 59861834 LAIMDRZLWKLZLG-CPNJWEJPSA-N 447.403 4.760 10 10 IJCE COc1ccc(N2CCC(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 110424735 LXZUAQFZDCEXFB-UHFFFAOYSA-N 432.568 4.735 10 10 IJCE CC(C)CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 206887245 BXBZYTWQDPGOFJ-RGEXLXHISA-N 426.563 4.658 10 10 IJCE Cc1cc2c(n1-c1ccc(Br)c(I)c1)CCC[C@@H]2O 311575857 SBUJBWUEIFWWQE-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE CC(C)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccc(Cl)c1 586223857 VHDVLOHMLYSHOC-UHFFFAOYSA-N 439.920 4.719 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)CC1 708073277 NNFFTAGKYUCXNZ-NNUKFRKNSA-N 447.801 4.981 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 708090158 OHPMWLRVAWADTI-LSDHHAIUSA-N 445.785 4.734 10 10 IJCE COc1cc(CN(C)[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1O 913098685 DIUYIEOVVCPGCO-NRFANRHFSA-N 444.491 4.580 10 10 IJCE Cc1cccc(C)c1OCC(=O)N(c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)C 1859892053 VVLWAALESDPTGQ-UHFFFAOYSA-N 427.500 4.899 10 10 IJCE COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 1860084881 UUPYGPSVOTWZAK-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1865992099 LJEJXDLODOBKKN-JOCHJYFZSA-N 434.411 4.945 10 10 IJCE Cc1cc(C)cc(-n2nc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)cc2C)c1 1866289048 YGRMIEVQKKBJDI-UHFFFAOYSA-N 438.531 4.583 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1C1CC1 1886010886 XOHZYEFGZYSNFF-HZPDHXFCSA-N 445.785 4.686 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)ccc2O)CCC12CCC2 2225556067 TZZJNCCPLACDHZ-INIZCTEOSA-N 425.367 4.567 10 10 IJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1 2297469950 JUCAZWMUQBOROV-UHFFFAOYSA-N 443.507 4.901 10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1 2321586570 POINBCWXBGDFTG-UHFFFAOYSA-N 426.563 4.725 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1c1ccc2c(c1)OCO2 2321613340 HZWAUPOFELSSJS-UHFFFAOYSA-N 438.299 4.723 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332114977 IWJDZNOCFHNNKV-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1Br 2380794370 ZWJRPSZXDATHLS-ACHSLPGTSA-N 439.394 4.731 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CNc3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 1433966 ABLOMIIJLSSYSC-ODLFYWEKSA-N 444.578 4.600 10 10 IJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2 14479730 YHRWLHWQJVJCJD-YPCDYVTLSA-N 449.595 4.602 10 10 IJCE COc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)ccc1OCc1ccc2ccccc2c1 96444275 HNOYQLRDICKNSU-UNOMPAQXSA-N 432.501 4.524 10 10 IJCE C[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H](c2ccco2)C1 744384752 PUBJWNHDPRMQEV-LIRRHRJNSA-N 444.443 4.577 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 1865676434 BZEWWOXNULTANE-WQLSENKSSA-N 427.741 4.731 10 10 IJCE CN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2180692080 WBIQUJHZWWJIFI-UHFFFAOYSA-N 435.318 4.774 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2296509334 PBAIYIFXBGHYHV-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)c1)C(=O)O 2314930699 HYRITGCCWQZNET-INIZCTEOSA-N 433.938 4.988 10 10 IJCE Cc1ccc(N2N=C(c3ccccc3)C(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 2332141506 ZJBWAFAOHWACIM-UHFFFAOYSA-N 441.443 4.509 10 10 IJCE COc1ccc(N2CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)cc1 44448842 FJQNRELXMAENRU-UHFFFAOYSA-N 434.511 4.908 10 10 IJCE Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)c1 83327549 YLGOBLMWDCUUGS-CVNFFVDQSA-N 439.558 4.594 10 10 IJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 102471261 SXFFCQTVWSVDCY-JCMHNJIXSA-N 440.890 4.654 10 10 IJCE CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 104832798 YGVAPRXAJDTCAT-UHFFFAOYSA-N 434.609 4.568 10 10 IJCE Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)n1-c1ccc2c(c1)OCCO2 105808453 YYZPIFXAEXRHLL-SANMLTNESA-N 439.515 4.780 10 10 IJCE CCCCCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 208278837 GDPOJHMTLXZUKC-XDJHFCHBSA-N 441.622 4.771 10 10 IJCE Cc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 210672374 SHBFBPNMEOYMRV-MHWRWJLKSA-N 436.480 4.854 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1OC 526248125 NHNKHGFJXDRUCD-QHCPKHFHSA-N 447.487 4.789 10 10 IJCE C[C@H](NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(N2CCOCC2)cc1Cl 766165806 YMVXKPKKUZBONG-BSRJHKFKSA-N 434.049 4.972 10 10 IJCE Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@H](c1ccc(N3CCN(C)CC3)cc1)N2 888096002 PINQUHQKMASNOT-HHHXNRCGSA-N 440.591 4.556 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O 1170802849 DVCCSQOZTAHADF-QGZVFWFLSA-N 436.980 4.717 10 10 IJCE CC(=O)N(CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)Cc1ccccc1 1459584452 PTXBHMTZUMKLID-IBGZPJMESA-N 442.003 4.631 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 1526035224 DBNLWQWMYCNDCO-UHFFFAOYSA-N 425.326 4.573 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1O 1865671802 FIYKYQFIIKCUCJ-OQLLNIDSSA-N 436.103 4.723 10 10 IJCE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 1865672008 KSPNAXRHQXOKDX-ZHZULCJRSA-N 449.304 4.998 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CC(C)C)C2=O)cc1 1873170359 WPMYZCNSQZQTQL-WZONZLPQSA-N 433.596 4.998 10 10 IJCE CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC(F)(F)F)c(Br)cc21 2152198408 SHNOGOMEBUDTLX-KRWDZBQOSA-N 442.279 4.621 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 2294619936 OLJHGXWRAHIUTB-UHFFFAOYSA-N 449.963 4.887 10 10 IJCE CCCOc1c(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)cc1OC 2297365524 ABGNAGCPYPQKIX-UHFFFAOYSA-N 428.872 4.642 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)ccc1O 2321699157 LJHWBGSETHYUBG-UHFFFAOYSA-N 436.352 4.878 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469220 LFPDIJPAHTXUKV-RNHFSVANSA-N 434.536 4.977 10 10 IJCE Cn1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c2ccccc21 33417557 CPFFNSRJEYNUOX-YBEGLDIGSA-N 440.322 4.612 10 10 IJCE COc1ccc(N2CCN(C(=O)c3csc(Nc4cccc(Cl)c4)n3)CC2)cc1 38511645 MLDYKDPSDQHCQR-UHFFFAOYSA-N 428.945 4.511 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 54620851 BLVQHGOHIJDLSE-HSZRJFAPSA-N 443.503 4.730 10 10 IJCE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1O 96504731 QADPNGNORLMZQA-LDADJPATSA-N 449.304 4.998 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CC2)cc1 248141739 QMPMIWPRYHDBFW-UHFFFAOYSA-N 442.515 4.983 10 10 IJCE CC[C@@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 381869986 QMSXBUOPEIWVSD-WMLDXEAASA-N 427.383 4.843 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526329571 VQTQNPIXRSRAGF-QFIPXVFZSA-N 436.533 4.889 10 10 IJCE COc1ccc(-c2nnc(CN(Cc3cccs3)c3ccc4c(c3)OCCO4)o2)cc1 744395947 AHSVUDKHFTXAFB-UHFFFAOYSA-N 435.505 4.785 10 10 IJCE Cc1cc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccc1 746424570 CPGVXSJMGPYOHX-UHFFFAOYSA-N 444.579 4.697 10 10 IJCE CC(=O)C(=O)COC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 808509494 RSXDQVOWZQEFLK-WAYWQWQTSA-N 444.306 4.544 10 10 IJCE Brc1cc(CNCCCc2ccc3c(c2)OCCO3)ccc1N1CCCCC1 1655917446 GZVFTYCAQIAMAQ-UHFFFAOYSA-N 445.401 4.933 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@@](C)(N)CC)sc(C)c1-c1ccc(Br)cc1 1866112881 SWMCBNFHKCEBDB-IBGZPJMESA-N 439.375 4.729 10 10 IJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873164706 OFIRUPWIEOWTFE-UHFFFAOYSA-N 442.563 4.549 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(C=O)c2I)cc1C 2079969883 KBYZEYBERDQJDW-SFHVURJKSA-N 440.325 4.991 10 10 IJCE CC[C@@H](NCC1(C)CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2103348009 KEOHUJYJKHCMEV-CZDRUDQFSA-N 427.383 4.889 10 10 IJCE CNCc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2163332994 FIUGQSDWTRYSER-UHFFFAOYSA-N 428.418 4.661 10 10 IJCE CN(C(=O)OC(C)(C)C)[C@H](CNCc1c(O)cccc1Br)c1ccccc1 2175011280 VVCFULTVLQUPRG-GOSISDBHSA-N 435.362 4.853 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@@H]2CCCC[C@@H]21 2179398480 PGHBNKYJSZLQTF-SZMVWBNQSA-N 439.394 4.670 10 10 IJCE CC[C@H](C)Oc1ccccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 2294208424 AEZMDQRSHKVWCS-ZDUSSCGKSA-N 428.941 4.657 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935230 OBTHNMVKXHRSFG-AWEZNQCLSA-N 443.546 4.651 10 10 IJCE CCN(CC)CCCN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323767841 CIQIRDUVXBMGRI-UHFFFAOYSA-N 431.396 4.521 10 10 IJCE CN(C)c1ccc(OCc2ccc(I)c(Br)c2)cc1 2349927098 FYULOQDPYQGMKQ-UHFFFAOYSA-N 432.099 4.699 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1 15039222 VYMQFKCDSFXJAY-RGEXLXHISA-N 426.563 4.624 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 33342711 YTGJQPQLOWBTCT-FYJGNVAPSA-N 444.447 4.817 10 10 IJCE COc1ccc(CN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@@H]3C)SC2=S)cc1 33523525 TWPBCXVHAUMWPN-MQMKENTISA-N 439.558 4.813 10 10 IJCE O=C(O)CCN1C(=O)/C(=C\c2ccc3noc(-c4ccc(Cl)cc4)c3c2)SC1=S 39895732 LKSWGJAYWHIILG-MHWRWJLKSA-N 444.921 4.824 10 10 IJCE Cc1cc(C)c(COc2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2)cc1C 40937808 ZVXSSMOPZMCCTD-UDWIEESQSA-N 441.574 4.867 10 10 IJCE Cc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 83317432 JOVJOWDWMWLXID-XAJRUKRBSA-N 439.558 4.594 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc(CNCc2cc(Br)ccc2O)c(F)c1 404751457 JCJRRNKYVDRXQT-UHFFFAOYSA-N 439.325 4.608 10 10 IJCE C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 766195003 MOIRCCNXVJBVEU-PGRDOPGGSA-N 443.563 4.579 10 10 IJCE COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(F)cccc1Cl 784064617 JITVGFLXFCJWKS-LJQANCHMSA-N 442.865 4.553 10 10 IJCE C/C(=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cccs1 1586620540 YYMKGVYFOFTLHI-JRJUITNWSA-N 429.586 4.600 10 10 IJCE COc1cc(O)ncc1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 1648445384 PTRQJLMMPMWMAD-UHFFFAOYSA-N 438.484 4.718 10 10 IJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@]1(C)C#C 1705653984 UXLRUNLPYJHKRM-AREMUKBSSA-N 443.620 4.711 10 10 IJCE Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)cc2C)c(C)c1 1866287787 UGXNPJNGWSNXQH-UHFFFAOYSA-N 440.503 4.785 10 10 IJCE C[C@H](NCc1ccc(Br)cc1O)c1csc(NC(=O)OC(C)(C)C)n1 2051173280 VWNPHXARYFJSDK-JTQLQIEISA-N 428.352 4.809 10 10 IJCE Cc1cc(C=C2SC(=S)N(c3cccnc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2053574568 NLGWFKSJVLQOBA-UHFFFAOYSA-N 436.518 4.803 10 10 IJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 2297470457 FEBBGZCVCCPFOB-UHFFFAOYSA-N 427.530 4.563 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 2321717909 ILJVTJPXSHAKTR-UHFFFAOYSA-N 441.530 4.778 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCC)C1=O 33467326 RTMFAOAXEXITMX-VKAVYKQESA-N 444.626 4.606 10 10 IJCE Cc1cc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl 40317263 ZPLMFRLROXGUOQ-OAQYLSRUSA-N 428.960 4.750 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)ccc1OCC(C)C 59860985 GWDHSPQBKVCXPG-MFOYZWKCSA-N 428.872 4.890 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3cc(C)ccc3C)CC2)cc1 247884689 CWWPRHLSGXQMTD-UHFFFAOYSA-N 428.532 4.505 10 10 IJCE CN(c1ccc(/C=C\C(=O)O)cc1Br)[C@H]1CCCN(Cc2ccccc2)C1 388874535 QFWFNZJEHWIASN-XASXRRJKSA-N 429.358 4.648 10 10 IJCE Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 1084274809 ABEKBLOMKPYHSN-AQTBWJFISA-N 434.542 4.879 10 10 IJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)c1C 1084646894 QLXYJGWLYFGOOO-LDADJPATSA-N 449.304 4.886 10 10 IJCE CC(=O)c1cc(F)cc(F)c1OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 1188751772 OJIWZHBVEHXDEA-UHFFFAOYSA-N 441.430 4.608 10 10 IJCE Brc1cccc(C[C@H](CC2CC2)NCc2ccc(N3CCOCC3)cc2)c1 1656106730 KYNDOWZXHPJBAD-QFIPXVFZSA-N 429.402 4.787 10 10 IJCE CC(C)(C)c1nn(Cc2cc(F)ccc2O)c(I)c1C(C)(C)C 2079806494 LVWJAQNJYHKBQV-UHFFFAOYSA-N 430.305 4.976 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNCc1cc(Cl)cc(Br)c1O 2218547887 XBLVCASTEYKWFW-GOSISDBHSA-N 433.774 4.687 10 10 IJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 2313682850 MBHWALUFMQJFLH-UHFFFAOYSA-N 429.451 4.749 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1OCC 2321733981 SPMILYFGUIGFJJ-UHFFFAOYSA-N 429.519 4.619 10 10 IJCE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C)c2)C1=O 15039262 PFUYMPFIROIALQ-RGEXLXHISA-N 426.563 4.624 10 10 IJCE CCCCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 40562455 WBEWBWAMZMLELF-SILNSSARSA-N 441.622 4.853 10 10 IJCE CCN1CCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])CC1 256018086 NZFALOYGSIKEBU-UHFFFAOYSA-N 432.488 4.686 10 10 IJCE Cc1cc(/C=C/C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(C)n1-c1ccccc1 302851120 SWZNDNWOEQXLIN-TWLJRWAQSA-N 425.536 4.556 10 10 IJCE CC1(C)CN(c2ccc(CNC3CC3)c(Br)c2)CCN1Cc1ccccc1 382749839 FBYUJEAXWCBBDB-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526150446 SFFXQAOLGNNYQG-XMMPIXPASA-N 448.494 4.966 10 10 IJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671825 QDXGTLUGJSMDSE-PXLXIMEGSA-N 426.472 4.609 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)ccc1OC(=O)c1ccccc1 1865675810 AWWRMHMSZQCIOS-KGENOOAVSA-N 444.462 4.855 10 10 IJCE C[C@@H](O)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2152790798 QKZBGAKGFGPYPM-MRXNPFEDSA-N 439.344 4.850 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2c(O)cccc2Br)CC12CCCCC2 2155194803 PCSWFWXLVKLIRX-OAHLLOKOSA-N 439.394 4.957 10 10 IJCE CC[C@@H](NC[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2157528826 MLCGAEZOSOOQKA-UZLBHIALSA-N 445.373 4.935 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)cc1 2296946483 BGAVDXNGDHPBFC-UHFFFAOYSA-N 437.524 4.975 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139413 DWTPEPRLYSVGKH-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(Br)cc(C)c2O)cc1 13980703 MJYLBEVBSMZLBB-FMQUCBEESA-N 426.336 4.909 10 10 IJCE CCOc1cc2c3c(c1)/C(=C1\C(=O)N(c4ccccc4)N=C1C)C(=O)N3C(C)(C)C=C2C 33887226 GFPXTOXMHUFEMX-QURGRASLSA-N 427.504 4.804 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2C)cc1 34931447 KRYARKKSOVJPSN-KQWNVCNZSA-N 425.488 4.819 10 10 IJCE COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 35385627 VPVJCJICJZCGAX-MPZUNYIRSA-N 435.553 4.768 10 10 IJCE N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 102469971 SBCJXZMSTIOUKS-OWXMOAHUSA-N 428.461 4.886 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(Cl)c(OCCC(C)C)c(OC)c3)CC2)cc1 248141570 QEVFWZLWAZRPRW-UHFFFAOYSA-N 446.975 4.745 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@@H]2c2ccc(O)c(O)c2)c1 526183558 FSIIKZVUQXCVST-XMMPIXPASA-N 447.487 4.952 10 10 IJCE C/C(=C/c1cccc(C(F)(F)F)c1)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 808381746 SWDMEUYUSUQRJW-MJLBXUHQSA-N 431.502 4.600 10 10 IJCE CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C 1519494707 XLZNBLZJMUMFTK-UNOMPAQXSA-N 442.537 4.567 10 10 IJCE Cc1cc(C(=O)CSc2nc(O)cc(-c3ccccc3)n2)c(C)n1-c1ccc(F)cn1 1644270349 SEZMSEKXJVHOPY-UHFFFAOYSA-N 434.496 4.766 10 10 IJCE CCCCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2CC)cc1 1862332798 QUCDYXJQBUEPGX-UHFFFAOYSA-N 446.595 4.884 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4C)n(CC(C)C)n3)CC2)cc1 1862356779 UORLXPDULFKNSL-UHFFFAOYSA-N 446.595 4.794 10 10 IJCE CCc1sc(NC(=O)[C@](C)(N)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1866112944 WLOIJAXONSXUGU-LJQANCHMSA-N 439.375 4.593 10 10 IJCE CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1 1872807160 FAWLUFIKLGQGEK-UHFFFAOYSA-N 430.508 4.859 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1(C)C 1885865448 JQFSWTWLFHQALW-WFASDCNBSA-N 447.801 4.837 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)[C@@H](N)c1ccc(N2CCCCC2)cc1 2044764013 GFBVFLOJUYQCJA-ZEQRLZLVSA-N 439.600 4.787 10 10 IJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(N)c2I)C(C)(C)C)c(O)c1 2079026287 YZYLJIGYWHNUQU-INIZCTEOSA-N 439.341 4.771 10 10 IJCE CC(C)CNCc1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1Br 2152212304 YWMHMLLKGJDECJ-JOCHJYFZSA-N 430.434 4.905 10 10 IJCE O=C(NN1C(=O)C(=Cc2cccc(F)c2)SC1=S)c1ccc(Cl)cc1Cl 2296024812 IWDMNMCLGNRPCL-UHFFFAOYSA-N 427.309 4.679 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl 2313510835 XYZPFWUTGRXWLB-UHFFFAOYSA-N 432.303 4.875 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OCC 2321629473 ODVPSFHPSWFWRL-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE Cc1ccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(O)c1Br 2327802177 XTBIRTVQUUAWCO-GOSISDBHSA-N 447.373 4.602 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OCCOc3ccc(C)cc3C)c(OC)c2)SC1=S 6470518 XHQFRQUTKGHCAW-KGENOOAVSA-N 443.590 4.991 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 13643796 WUISBDGWKZDSKW-HWBMXIPRSA-N 437.609 4.754 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 14473447 KBZGXJDDVVVMJJ-HYFFOGBASA-N 439.899 4.547 10 10 IJCE C[C@H]1CN(C2=NC(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3c3ccccc3)S2)C[C@@H](C)O1 34981704 IHLSEVPMTLNXFC-YKEAZVTMSA-N 432.545 4.826 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCc2cccs2)cc1 205965369 BRILBCDAPWHWAP-HAVVHWLPSA-N 447.560 4.623 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1Br 715029271 SERSDGCPOFLTKO-LTMIRXACSA-N 428.418 4.960 10 10 IJCE CCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 1458790204 DCZUZPAEVMWTDE-UHFFFAOYSA-N 425.341 4.693 10 10 IJCE CC(=O)[C@@H]1CC(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)=NN1c1ccccc1 1466397860 AWJJCCNEZUJRLI-DFBJGRDBSA-N 441.531 4.706 10 10 IJCE O=C(Cc1noc2c1ccc1ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859616626 VAEKNNIEEZTSIQ-UHFFFAOYSA-N 432.435 4.938 10 10 IJCE CC(C)C[C@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865897844 QVUOSLSEKHRVKH-HSZRJFAPSA-N 443.503 4.711 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080036226 IUKPXLOEASSLFV-AWEZNQCLSA-N 447.251 4.773 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2cccc(Br)c2O)CC1 2093976426 GCQDSIFSYCZLTQ-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE CC1(C)CC[C@@H](NCc2cc(Br)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 2155356739 HBRNDCPKKLRLJV-DOTOQJQBSA-N 441.410 4.964 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)C[C@H]1C1CC1 2198270075 IGDDCKIGOWQUCR-WBVHZDCISA-N 443.357 4.562 10 10 IJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O 2297295867 KZMXZLLPDVNSFW-UHFFFAOYSA-N 436.352 4.565 10 10 IJCE O=C(O)CN1C(=O)C(=Cc2cc(N=Nc3cccc(Cl)c3)ccc2O)SC1=S 2297506333 CXEUNFKZHKCNIJ-UHFFFAOYSA-N 433.898 4.747 10 10 IJCE CCCC[C@@H](C(=O)O)N1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=S 2314542076 RVPOJBKNJNLAAX-ZDUSSCGKSA-N 428.373 4.684 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCc1ccccc1 2314837808 WYEDPXCLYDZCPI-UHFFFAOYSA-N 442.581 4.904 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)c1 2321663760 LGOVQGAJIGJQJW-UHFFFAOYSA-N 426.519 4.600 10 10 IJCE Cc1ccc(CNC[C@H]2CC3(CCC3)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381127236 FSSBHLJTYLKHQV-MRXNPFEDSA-N 439.394 4.732 10 10 IJCE CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 21874210 DETRYCPTCCYBLD-GOSISDBHSA-N 433.508 4.545 10 10 IJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 40938360 LGTQSRGSPATSSB-JXAWBTAJSA-N 437.583 4.720 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(O)=NC2=S)cc1C 59109264 JYIMJDWFVLCEDH-AYBCGVOZSA-N 437.565 4.572 10 10 IJCE CCCCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586691751 HNBTWQCGEYHWQY-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE CC(C)(C)OC(=O)NCCOc1ccc(NCc2ccc(Br)cc2O)cc1 691397179 XDDNQBOFVHNIEW-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CCNCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 702070402 BBQAZSMWNDRWPZ-NZQKXSOJSA-N 428.418 4.517 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 708159238 WPWMOLSIQUZAMP-FZMZJTMJSA-N 433.774 4.591 10 10 IJCE Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1ccc(N3CCN(C)CC3)cc1)N2 888096011 PINQUHQKMASNOT-MHZLTWQESA-N 440.591 4.556 10 10 IJCE C/C(=C/c1ccc(Br)o1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 1136480591 RKHZCKVPAFVLKT-JDQHYLEWSA-N 447.373 4.719 10 10 IJCE C=COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 1527997187 PKBWGWBXLAJJJA-GHRIWEEISA-N 430.576 4.891 10 10 IJCE Cc1cccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1928774610 GGRATFRGOOGSGE-UHFFFAOYSA-N 432.520 4.651 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1984713617 OYQSXFXRCGNRKU-RUZDIDTESA-N 444.531 4.572 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2NCc2cc(Br)ccc2O)CC1 2144612647 GGXMTTXZNMQWKY-SFHVURJKSA-N 439.394 4.814 10 10 IJCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190562973 ZUUJLYGDMPTBIW-JRBPQWBISA-N 433.365 4.867 10 10 IJCE CN1CCc2cc(CNc3ccc(Br)cc3I)ccc21 2240327204 GODNTFAACXAKDZ-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NC12CC3CC(CC(C3)C1)C2 2297554750 XVILZYVACIYEDE-UHFFFAOYSA-N 444.597 4.502 10 10 IJCE COc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1 2904611 POIKSXABNNNCCL-UYRXBGFRSA-N 437.498 4.913 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1F 2938695 ZHBLJKPPGNKLKL-DEDYPNTBSA-N 447.553 4.651 10 10 IJCE CCCCc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 16926390 JCMCVYDLBOKXTN-SFHVURJKSA-N 432.929 4.985 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S 27531651 AKRNLNPANTVPHH-GZTJUZNOSA-N 433.938 4.789 10 10 IJCE N=C1/C(=C\c2cccn2-c2ccc3ccccc3c2)C(=O)N=C2SC(C(F)(F)F)=NN12 32964483 JHMAYHSOWQWFPN-IYYUQOEFSA-N 439.422 4.812 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)c(OC)c1 59372184 TXPBJGKKTXQJCT-GIJQJNRQSA-N 434.970 4.936 10 10 IJCE CCNCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 702071156 JHZHLBXUSKDEIP-OFNKIYASSA-N 428.418 4.517 10 10 IJCE CC(=O)N[C@](C)(C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)C(C)C 1124853443 RPOGLGTWCUDYEV-QHCPKHFHSA-N 442.560 4.846 10 10 IJCE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1132043373 FRJWKDNCVWBTAM-SANMLTNESA-N 427.548 4.983 10 10 IJCE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 1519155958 KFWKNKLIYFDRLO-BHWVZIDZSA-N 434.458 4.703 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cnc(-c2ccccc2F)s1 1859707588 VCEMISJSVGDNAG-UHFFFAOYSA-N 428.444 4.977 10 10 IJCE COCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419900 DRELJQYRXVGCOP-UHFFFAOYSA-N 443.547 4.549 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2)c1cc(Br)ccc1O 1925596496 ZLXWSNJSESEEPJ-DOTOQJQBSA-N 425.367 4.737 10 10 IJCE Cc1c(C2CCC2)nn(Cc2cc(Br)ccc2O)c1I 2079796768 SBTWAWVOQMLNOO-UHFFFAOYSA-N 447.114 4.580 10 10 IJCE CC[C@H](NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2174312167 BETZHWFSXCWYFV-UNQWWWNPSA-N 439.394 4.983 10 10 IJCE CN[C@H](C)c1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1Br 2182309759 QPAPJWBUDYQITC-QMMLZNLJSA-N 428.418 4.973 10 10 IJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccc(OC)cc2)c1C 2294082187 OMBPIENDBDBJII-UHFFFAOYSA-N 442.515 4.980 10 10 IJCE Cc1c(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 2296663472 WMRYPEWMRIJRJR-UHFFFAOYSA-N 441.965 4.544 10 10 IJCE COc1ccc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1OC 2297467662 CRYSGVVGCKVGCV-UHFFFAOYSA-N 426.542 4.683 10 10 IJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2313681628 JNJLKVGKTXJBAJ-UHFFFAOYSA-N 434.515 4.925 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 2321585750 AXFGHTTVIJJSJQ-UHFFFAOYSA-N 440.590 4.561 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccccc3C(=O)O)C2=O)cc1OCC 2321709074 RQPWWWVTIRGKOP-UHFFFAOYSA-N 429.519 4.588 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094454 HRRYHQBVJSWLAT-UHFFFAOYSA-N 434.879 4.590 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473525 ZWGDWFRNUNFMOK-HYFFOGBASA-N 441.915 4.841 10 10 IJCE CC1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]2CC=C[C@@H]32)CC1 20709654 IOEGDKLRBYRHNF-KDLAUNOPSA-N 433.508 4.999 10 10 IJCE O=C(Oc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)c1cccs1 33313236 DBIPWADMLAXYER-GZTJUZNOSA-N 427.528 4.962 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1C 33316217 AKYDZZPBSWKNGY-YBEGLDIGSA-N 442.313 4.639 10 10 IJCE COc1ccc(N2CCN(C(=O)c3oc4c(c3C)C3(CCC4)SCCS3)CC2)cc1 39851886 GNZVAHBPOOROGE-UHFFFAOYSA-N 444.622 4.528 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\C(Cl)=C/c3ccccc3)SC2=S)c1 210233846 GULXHNWOXFSLNW-CCGPYJSLSA-N 445.905 4.612 10 10 IJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)cc1 526620564 OGLINVHUTDTWGG-OAQYLSRUSA-N 427.378 4.881 10 10 IJCE COc1ccc(CN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1858587545 KJRFTCQDXDDYKH-VGOFMYFVSA-N 435.983 4.768 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCCCC2)cc1 1865858766 MIHAHSWFXMKTMY-QHCPKHFHSA-N 444.019 4.907 10 10 IJCE CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C)c1-c1ccc(Cl)cc1 1865876505 OWHDJOBPYGZWPL-UHFFFAOYSA-N 447.896 4.923 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cccc(C)c3[nH]2)sc(C)c1-c1ccccc1 1866478331 SPMPFGJADPAMDK-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE COc1ccc([C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1868180192 VBBZVKNLUCRYJT-HSZRJFAPSA-N 443.499 4.858 10 10 IJCE Cc1cc(O)c([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1C 1952888829 XQFFLEKKEKWYNZ-AREMUKBSSA-N 431.488 4.848 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079017108 XPYJPNMRYSAQDN-QGZVFWFLSA-N 433.346 4.887 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)O 2314932514 NINFXOXITQLGKT-HNNXBMFYSA-N 433.938 4.988 10 10 IJCE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCCC)c(OCC)c2)SC1=S 2323815980 JFVQVGRUEWNBKC-OAHLLOKOSA-N 437.583 4.719 10 10 IJCE Cc1ccc(CNC(=O)CCCCCCNC(=O)OC(C)(C)C)c(O)c1Br 2380743972 ATEYYTJWNKEOQS-UHFFFAOYSA-N 443.382 4.555 10 10 IJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 14547137 OWEFMRKDYCJYMI-SLSDLSHTSA-N 431.561 4.729 10 10 IJCE Brc1ccc(-c2ncc(CNCc3ccc(N4CCOCC4)cc3)s2)cc1 1199732304 IHUSIACYPSRLQV-UHFFFAOYSA-N 444.398 4.699 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 1858591468 OCAPPCVOFYTYKR-YWXUCKCNSA-N 426.563 4.560 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c1 1860086751 FJXGJGIXCXDUSN-XDHOZWIPSA-N 443.546 4.676 10 10 IJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C(C)C)CC2)sc(C)c1-c1ccccc1 1860626487 VZQCFGHMNPJHSH-UHFFFAOYSA-N 442.581 4.733 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CCCCC2)cc1 1866167850 XDXXXCNTFVBQGW-SANMLTNESA-N 431.580 4.628 10 10 IJCE CCOc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872871860 ARBBNQROODCGRR-UHFFFAOYSA-N 446.547 4.635 10 10 IJCE CC(C)(C)c1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 2053621352 CYKGJFSILYVMNQ-UHFFFAOYSA-N 441.530 4.786 10 10 IJCE Cc1cccc(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c1O 2079715645 JWZQBGFIOHKAIJ-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE NCc1cc(F)c(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260523 FNXLLHDIICYBCC-DYESRHJHSA-N 432.381 4.538 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163309001 WRHRNJBMNVDULF-FDDCHVKYSA-N 429.402 4.995 10 10 IJCE NCc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163326972 OPIYQGPROXHRBQ-JOCHJYFZSA-N 432.381 4.539 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1O 2296764726 FEFKMFSVRFJXBY-UHFFFAOYSA-N 436.352 4.959 10 10 IJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(C(=O)OC)cc3)SC2=S)cc1 2296880014 QCOSNGJVGLEOGW-UHFFFAOYSA-N 426.563 4.725 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314936705 ZZMSTFIKYXYOML-AWEZNQCLSA-N 443.546 4.651 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130966 XAHBPGVAFPVFLL-UHFFFAOYSA-N 428.488 4.543 10 10 IJCE COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 33332202 RUMVLQZQRDRARF-REZTVBANSA-N 432.259 4.569 10 10 IJCE COc1ccc(-c2c3c(nc4sc(C(=O)Oc5ccccc5)c(N)c24)CCN(C)C3)cc1 40570186 VHCLWBVXEXHEPZ-UHFFFAOYSA-N 445.544 4.761 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526297064 PXYFUNDCPPTYGR-HSZRJFAPSA-N 430.504 4.827 10 10 IJCE CC(=O)c1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccc1C 1526822207 LGBKXAREUUCOPO-LDADJPATSA-N 444.603 4.879 10 10 IJCE CCC(=O)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860646497 OICQQEUWSIJKDQ-SFHVURJKSA-N 442.581 4.714 10 10 IJCE CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC 1865671255 SLDNVFUAUIFGKT-LICLKQGHSA-N 445.313 4.671 10 10 IJCE CCN(CC)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873947901 GRTUYLVIMSYFML-UHFFFAOYSA-N 437.499 4.813 10 10 IJCE CCCN[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1O 1947484389 KGAOSHLSQSBJON-IFMALSPDSA-N 428.573 4.933 10 10 IJCE Oc1cccc(Br)c1Cn1nc(C2CCCC2)cc1I 2070045363 JQGVWAKPZMWJQH-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE C[C@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2148935578 UECWHXDCUZBRNF-HFSMHLIXSA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)c1 2180961437 GFGTULIHXFDCJU-LBPRGKRZSA-N 438.326 4.959 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280272320 GHROFNOMRGSMNW-LLVKDONJSA-N 446.126 4.743 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1cc(C)cc(C)c1 2293104009 HXEJFEKHNRZUKX-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE Cc1cc(I)ccc1N=NN1CCCN(C(=O)OC(C)(C)C)CC1 2330234495 HYZVHQKDSQXOER-UHFFFAOYSA-N 444.317 4.541 10 10 IJCE CCC1(NCc2ccc(C)c(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 2352944122 CUWBLTFVFYQDMW-UHFFFAOYSA-N 427.383 4.732 10 10 IJCE CCn1c(/C=C\c2c[nH]c3ccccc23)nc2ccc(I)cc2c1=O 102894891 DXZSOYJAFCJHBL-YFHOEESVSA-N 441.272 4.673 10 10 IJCE CCCCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 206929086 MQAAONNBCISHFU-RGEXLXHISA-N 426.563 4.720 10 10 IJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(/C=C2\C(=O)N(c3ccccc3)N[C@@H]2C)c1 210118616 ARUIUQLJGJFWIL-WQKFIRQASA-N 448.526 4.816 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 401528612 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10 10 IJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1 2321591096 XCQHOAYPEZPPFD-UHFFFAOYSA-N 437.546 4.615 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2329447464 ZDKVHFUZXIKPMC-DETPVDSQSA-N 445.785 4.543 10 10 IJCE COc1cc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468794 OFUVREVPJWMZBX-IXFSTUDKSA-N 434.536 4.975 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCOCC1 14471319 XXIHIYARXAXGGF-PNLZDCPESA-N 439.899 4.547 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1 14475199 AVKQGULGRDREQM-PPJWLVRDSA-N 446.572 4.687 10 10 IJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCSCc1cccc(F)c1 208736899 WZQPEOACBVGRND-UNOMPAQXSA-N 449.594 4.978 10 10 IJCE CCCCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 210875419 FYZRAEDAIKVNSK-HEFNWKINSA-N 438.568 4.601 10 10 IJCE C[C@H]1[C@@H](NCc2cc(Cl)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 708073298 NVJHUONTELBKII-NHYWBVRUSA-N 433.774 4.686 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]1C2 708202213 AUAVKVWPXVDKIC-NILFDRSVSA-N 445.785 4.686 10 10 IJCE C[C@@H]1CN(c2ccc(CN[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2F)C[C@@H](C)O1 779440250 ZZHPKKZVRMMOGQ-QEYZJBADSA-N 437.603 4.725 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1O 1307815061 GXZOCOJNVHYSLW-SFHVURJKSA-N 429.822 4.720 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2cccc(Cl)c2)nc1O 1625969822 LTSOYNFWJHHRMS-UHFFFAOYSA-N 439.968 4.591 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc(C)c(C)s2)sc(C)c1-c1ccccc1 1860767782 HVBHKTKACLNTSG-UHFFFAOYSA-N 443.550 4.551 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OCC 1860824934 CYZMLCSNXVYNSH-XDHOZWIPSA-N 443.546 4.584 10 10 IJCE COC(=O)c1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1 1865675586 PMRUGGZXUDLDJA-JCMHNJIXSA-N 430.891 4.957 10 10 IJCE CCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167198 VYMKKQPEEQUBSA-UHFFFAOYSA-N 445.538 4.903 10 10 IJCE CC[C@@H](NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159268465 YTZQIOOIGFDDLM-GOEBONIOSA-N 443.382 4.567 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3cccc(Br)c3O)CCC[C@H]12 2165310662 PWGGZKATDHCAMV-LAUBAEHRSA-N 439.394 4.814 10 10 IJCE O=C1C(=Cc2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1Cc1ccco1 2296595323 QYODKRSBQKAGJN-UHFFFAOYSA-N 430.894 4.611 10 10 IJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314836429 FFODRHJYGCUGQU-OAHLLOKOSA-N 426.563 4.622 10 10 IJCE CCCOc1cccc(C=C2SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 2321630720 GDLZUOJSZBNHGV-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2332130698 PNABASMSTLAWLZ-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE CC[C@H](N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2334529188 LCHMSVCZNKUUPP-SJWGOKEGSA-N 425.367 4.593 10 10 IJCE CCOc1ccc(C2=C/C(=C\c3cc(Br)c(OC)cc3OC)C(=O)O2)cc1 6508121 PXJJLXIFIODEOT-OQLLNIDSSA-N 431.282 4.846 10 10 IJCE O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccc2c1C(=O)c1ccccc1C2=O 21635769 ZKFBYMWLMVOUPL-UHFFFAOYSA-N 442.418 4.607 10 10 IJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S1 33424259 WQISOYDPIAJEKI-SAIIIAOYSA-N 437.481 4.973 10 10 IJCE C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccccc32)c2ccccc21 33773812 JEYFBIHYNZVOLM-QJPJTBPQSA-N 427.548 4.948 10 10 IJCE CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)N=C2O)cc1 34871743 HXXGAFNWYYGVNV-SFQUDFHCSA-N 427.888 4.702 10 10 IJCE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4ccccc4Cl)ccc3n2)CC1 64245759 JTPVKCHYAFRZLA-FLIBITNWSA-N 434.971 4.990 10 10 IJCE Cc1cc(C(=O)COC(=O)/C=C\c2cc3ccccc3[nH]c2=O)c(C)n1-c1cccc(F)c1 96993869 FNDWTCZIGSQONO-KHPPLWFESA-N 444.462 4.514 10 10 IJCE CCOC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 206843491 ROZWEOZFZXTELN-ZHZULCJRSA-N 441.574 4.728 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc(Br)ccc1O 389763051 ZWPRWNAMVIZETG-RRQGHBQHSA-N 427.383 4.841 10 10 IJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526289122 HCKAKIYPCSEIGF-DEOSSOPVSA-N 447.487 4.952 10 10 IJCE CN(Cc1ccccc1)C1CCN(c2ccc(/C=C\C(=O)O)cc2Br)CC1 717620717 NGRDOAQKUCTLBP-NTMALXAHSA-N 429.358 4.648 10 10 IJCE COc1ccc(-n2c(C)cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2C)cc1 1136728253 SQXDOIIKQPYMIC-JXMROGBWSA-N 429.564 4.574 10 10 IJCE Brc1cc(CNCc2ccccc2-n2ccnc2)ccc1N1CCCCC1 1656205231 PKOIVSXKVKNOSM-UHFFFAOYSA-N 425.374 4.915 10 10 IJCE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C#N)C1 1705786462 OOWVDEVHFLBHCZ-JOCHJYFZSA-N 444.583 4.684 10 10 IJCE COc1cc(C)c(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)c(C)c1 1857992202 NPYUKPCLLLSTRB-UHFFFAOYSA-N 449.576 4.814 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1858595828 IVTUVNYFJHYVDT-FOWTUZBSSA-N 427.979 4.571 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cccc1OC 1865668568 FNTLAJITGJNGFA-ATVHPVEESA-N 436.405 4.967 10 10 IJCE COc1cccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1951859612 ZZEWFQQDGKZDME-AREMUKBSSA-N 447.487 4.629 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(N)c2I)cc1C 2079848960 PTOANPWXBUJPKY-OAHLLOKOSA-N 447.267 4.719 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(N)cccc2Br)C(F)(F)CC1 2269181892 HSDJQKHSNWIJAU-AWEZNQCLSA-N 434.325 4.868 10 10 IJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c(C)c3)o2)SC1=S 2314650700 WZUOXKUNLQVXQK-MRXNPFEDSA-N 447.603 4.971 10 10 IJCE COc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1OC 2321689112 HHNQIZBJUKUNRS-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1cccc(OC(F)(F)F)c1 2321734284 SNLUZPTWKNSUEP-UHFFFAOYSA-N 425.409 4.720 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 33332479 YFOXVHQLTYTMEC-JAIQZWGSSA-N 443.459 4.638 10 10 IJCE Cc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)c1 33387908 AFPFXSXLNQOUKR-UYRXBGFRSA-N 444.534 4.582 10 10 IJCE O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S 113833671 XLIHEWUDLZHQKC-GIJQJNRQSA-N 442.949 4.629 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1ccc(F)cc1 210740400 XEHKJJIRDDWZMW-XMHGGMMESA-N 444.553 4.932 10 10 IJCE CCCCS(=O)(=O)N(Cc1ccccc1C)c1cccc2c1C(=O)c1ccccc1C2=O 586189798 QHTZEPMQUFNBSY-UHFFFAOYSA-N 447.556 4.907 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1O 1660452643 JNPWMLOYGLUIJS-SFHVURJKSA-N 448.579 4.983 10 10 IJCE CC(C)N(C(=O)CCC(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859891892 REGPQRBNQBNMPR-UHFFFAOYSA-N 425.484 4.867 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 1860085577 AXAWATZDEFSBEF-CPNJWEJPSA-N 426.563 4.632 10 10 IJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1 1865678172 XTIBUUVNAPUMRC-MHWRWJLKSA-N 445.313 4.758 10 10 IJCE CC[C@H](NC[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2094156413 PKVLAFIHIXBRCT-XOKHGSTOSA-N 427.383 4.841 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145260780 GSRIGMRQRMXRMC-GEQKSPFYSA-N 428.418 4.960 10 10 IJCE COc1cc(CNC(=O)OC(C)(C)C)ccc1NCc1cc(Br)ccc1O 2153439428 GOVCETCILZRQQN-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE C[C@@H]1C[C@@H](N(C)c2ccc(C=CC(=O)O)cc2Br)CN1Cc1ccccc1 2154834317 WTOGJLJKVHPORH-VQIMIIECSA-N 429.358 4.646 10 10 IJCE CCCNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2188887335 RTMBQGXNKIPFIW-NZQKXSOJSA-N 428.418 4.659 10 10 IJCE CC[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)c1cc(Br)ccc1O 2193242490 OAABZCQOELVTCE-CEXWTWQISA-N 439.344 4.961 10 10 IJCE CC(C)(C)OC(=O)N1[C@@H](CNCc2cccc(Br)c2O)CCC12CCC2 2225555241 KAYGQXVSDMGMMK-OAHLLOKOSA-N 425.367 4.567 10 10 IJCE COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1 2294519812 IZNLKSUSLZHQKA-UHFFFAOYSA-N 441.487 4.519 10 10 IJCE C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)S2)C[C@@H](C)O1 2314480710 KXWNMAFBORCRNF-QZTJIDSGSA-N 444.560 4.619 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 2318683679 FXULVTXFQPMPFZ-FQEVSTJZSA-N 442.606 4.598 10 10 IJCE COc1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)cc1OC 2321720116 RKEUDDSLXMWWET-UHFFFAOYSA-N 443.546 4.675 10 10 IJCE Cc1csc2nc(Cl)c(C=C3SC(=S)N(CCc4ccc(O)cc4)C3=O)n12 2323674943 QKCCCEQDFLHCTH-UHFFFAOYSA-N 435.983 4.507 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Br 2352689644 ZHJWHXHAKSATFM-BBRMVZONSA-N 427.383 4.588 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c(O)c1Br 2381132352 ZXAJNPSOKUGVCX-SJORKVTESA-N 439.394 4.731 10 10 IJCE Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(C)c1Cl 38642795 DGHMFGCQLLKOGR-DENIHFKCSA-N 445.003 4.998 10 10 IJCE Cc1cccc(-c2cc(OCC(=O)O)nc(Nc3ccccc3C(=O)c3ccccc3)n2)c1 73700895 JDEHCTFAILLSJF-UHFFFAOYSA-N 439.471 4.890 10 10 IJCE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 226899205 GVEMRVDDAMXAFQ-SWYRRKHMSA-N 426.516 4.844 10 10 IJCE C[C@H](N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1O 813878289 DXOCVWKQSVPDJR-GUYCJALGSA-N 425.367 4.595 10 10 IJCE CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S 1084402109 HUENSNQAZQAQBW-STZFKDTASA-N 447.535 4.627 10 10 IJCE C[C@@H](C[C@@H](Cc1ccc(N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1857788345 MFESDYBJHQTVTK-PXNSSMCTSA-N 444.531 4.829 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)CC1 1858591691 VSEUYNHNMFHQIP-XNTDXEJSSA-N 445.393 4.816 10 10 IJCE Cc1ccc(C)c(OCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 1859889178 SZVNZWPODZPXOQ-UHFFFAOYSA-N 427.500 4.899 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079032939 MDOKSTADQALFEP-MRXNPFEDSA-N 442.341 4.537 10 10 IJCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc1Br 2190540828 NCDIFCIEJUYIPT-DEXHYYOUSA-N 429.402 4.989 10 10 IJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1 2297347611 NKJWFYPPMPWNRO-UHFFFAOYSA-N 437.883 4.768 10 10 IJCE COc1ccc(CCNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 2313682884 MXJKDNNJRWYFPO-UHFFFAOYSA-N 441.531 4.561 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314933322 VDNMQGAJNDRXSJ-AWEZNQCLSA-N 443.546 4.570 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 2321647268 XAZAOCXWUHJGLJ-UHFFFAOYSA-N 428.579 4.956 10 10 IJCE Cc1ccc(CNC2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(O)c1Br 2352690645 GVLCKAKGGXKJBR-UHFFFAOYSA-N 427.383 4.731 10 10 IJCE Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1Br 2380800934 NCIMWICVADNXPK-IAGOWNOFSA-N 443.307 4.616 10 10 IJCE Cc1ccc(CNC2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c(O)c1Br 2381140907 RJCZIAFUCWIEGQ-PMACEKPBSA-N 429.402 4.853 10 10 IJCE CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)NC1=S 33536002 UNRQEFZVEKGCNT-GZTJUZNOSA-N 449.345 4.635 10 10 IJCE COc1ccc(N2CCN(c3nc(NCCc4ccccc4)c4ccccc4n3)CC2)cc1 41153235 BHKIXVZMXWJZDA-UHFFFAOYSA-N 439.563 4.620 10 10 IJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526572021 NCIUNNJVQLCTTL-NRFANRHFSA-N 436.489 4.565 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 702101661 ZCIBODOBUBWURL-FHJLPGHOSA-N 428.418 4.688 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 793371264 UDYGIRWGJWQINJ-OAHLLOKOSA-N 438.671 4.959 10 10 IJCE CC(=O)c1ccc(OC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C)c1 1264944042 DVJXZCRRJAEQLR-XDHOZWIPSA-N 443.521 4.534 10 10 IJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(F)cc1C 1857996805 HBEDAVVZGREFED-UHFFFAOYSA-N 447.463 4.558 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1OC 1858589996 SMJHUSKSWSVCFF-WOJGMQOQSA-N 435.954 4.507 10 10 IJCE CCCOc1ccccc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860715092 MUZSJNZHOOBTCA-UHFFFAOYSA-N 441.753 4.715 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C)sc(C)c1-c1ccc(F)cc1 1860747138 WIHUMGWANYWXGI-UHFFFAOYSA-N 440.496 4.925 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 1865667755 OAVBRPLAYDOFSX-BKUYFWCQSA-N 446.478 4.682 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865676166 VIGNGVMETFQJLR-XDJHFCHBSA-N 427.460 4.506 10 10 IJCE CN(C)c1cccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 1868164003 UYSUYKWWJGEQBF-UHFFFAOYSA-N 425.598 4.794 10 10 IJCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2c(O)cccc2Br)C1 1966029858 PIDWMVAOPHWFLZ-CQSZACIVSA-N 427.383 4.528 10 10 IJCE COc1cccc(Cn2nc(C(C)(C)C)c(C(C)(C)C)c2I)c1O 2079820277 IORQIPPQOGXIRH-UHFFFAOYSA-N 442.341 4.845 10 10 IJCE C[C@@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(Br)c1 2151097810 IPBYIIBGOFPYLH-UZUQRXQVSA-N 429.402 4.993 10 10 IJCE CCCCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(C)o3)SC2=S)cc1 2313502998 ADAHEQNFFSOETQ-UHFFFAOYSA-N 430.551 4.816 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(N=Nc2ccccc2)ccc1O 2313559258 VBBCMIWEICZUPC-UHFFFAOYSA-N 446.463 4.778 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1cccc(Cl)c1Cl 6172132 UCMGATASUZZKCY-GZTJUZNOSA-N 432.303 4.875 10 10 IJCE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCOCC1 14473453 KBZGXJDDVVVMJJ-GSHUGGBRSA-N 439.899 4.547 10 10 IJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048759 XOBPNROLWLPXNX-CMHHUMAZSA-N 431.608 4.669 10 10 IJCE COc1ccc(-c2cnc(CCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)o2)cc1 731014877 AQZOIRJPPZOUPJ-UHFFFAOYSA-N 433.552 4.836 10 10 IJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1705835742 SFOCWOSEKYYMLP-ZJSXRUAMSA-N 431.584 4.956 10 10 IJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)cc1 1772759405 KYEWYRJCCYOQEK-YLHSQMOZSA-N 438.574 4.870 10 10 IJCE O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 1860085946 XIFCJFLBVLJEDD-VGOFMYFVSA-N 439.287 4.902 10 10 IJCE CCOC(=O)c1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)c1 1872742399 XSJXVFHFNUUVRV-UHFFFAOYSA-N 428.492 4.725 10 10 IJCE CCN1CCc2cc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1951591602 ZCDFWZSCBMAQKP-RUZDIDTESA-N 442.515 4.733 10 10 IJCE Cc1cccc(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c1O 2079719157 LFKLFFJUIZTBDF-UHFFFAOYSA-N 438.231 4.866 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1Br 2163309008 WRHRNJBMNVDULF-WZONZLPQSA-N 429.402 4.995 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1cccc(C(F)(F)F)c1 2296808094 SCUJGOKYHNOBSS-UHFFFAOYSA-N 440.468 4.919 10 10 IJCE Cc1ccccc1N1C(=O)C(=Cc2ccc(I)o2)SC1=S 2314717771 VFRQAMKWUYHCFL-UHFFFAOYSA-N 427.288 4.598 10 10 IJCE Cc1ccccc1COc1ccccc1C=C1SC(=S)N(CCCC(=O)O)C1=O 2314761307 RVUHIUMYPQQYIN-UHFFFAOYSA-N 427.547 4.640 10 10 IJCE CN(C)c1ccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 2323874448 SJCQDNSXCJWVRR-UHFFFAOYSA-N 437.634 4.618 10 10 IJCE O=C(NN1C(=O)/C(=C/C=C\c2ccco2)SC1=S)c1ccc(Cl)cc1Cl 33706804 YKWFQGQLBDYVQO-CTPRGKITSA-N 425.318 4.689 10 10 IJCE CC1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 33808787 RTUXFVZYKRGSKA-RCCKNPSSSA-N 429.549 4.637 10 10 IJCE CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCCC(C)C 40942121 OTSWUNXWYMVZGY-NTEUORMPSA-N 430.389 4.762 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 206844618 HEXYFBMDUFTKAZ-HMMYKYKNSA-N 441.574 4.810 10 10 IJCE CC(C)CNCc1ccc(N2CCCN(Cc3ccccc3)CC2)c(Br)c1 323717721 KAGMIVCTJPPQOW-UHFFFAOYSA-N 430.434 4.907 10 10 IJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526235003 FHJYIAGWEKTNKB-HSZRJFAPSA-N 433.460 4.562 10 10 IJCE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Br 706821884 SLMHOXYSCZSLHZ-VBKZILBWSA-N 427.383 4.718 10 10 IJCE O=S(=O)(Cc1noc(-c2ccc(-n3cccc3)cc2)n1)c1cc(Cl)ccc1Cl 761341253 BDCMHJGIOWUUDW-UHFFFAOYSA-N 434.304 4.808 10 10 IJCE Cc1cc(Br)c(O)c(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 775119680 CNKHQSPNBLZMRK-UHFFFAOYSA-N 444.291 4.966 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1C(F)(F)F 776319170 FPFFJXWEUNCQAC-UHFFFAOYSA-N 429.236 4.557 10 10 IJCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1293117342 UADPGIITCCJDGN-AREMUKBSSA-N 449.595 4.550 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)c1 1860087610 JTIGBQJTHGXFQF-LTGZKZEYSA-N 440.590 4.718 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(O)ccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866408350 ZWWVHRGBWOPBJQ-UHFFFAOYSA-N 448.500 4.618 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873164889 XIURQLXIKOAERW-UHFFFAOYSA-N 445.538 4.555 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 1967824543 IVUMABZELWUTCG-ORAYPTAESA-N 445.785 4.687 10 10 IJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(C)cc3)c2)SC1=S 2296882503 XBFVEFZXUYPXRU-GOSISDBHSA-N 427.547 4.638 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)c1)C(=O)O 2314931386 NMRKMWCMYSEDGJ-SFHVURJKSA-N 427.547 4.951 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc(Br)c1O 2332110726 GCQUZDAXBVZHBC-UHFFFAOYSA-N 429.314 4.745 10 10 IJCE COCCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1 54620291 VNTRVNSKWREWED-QHCPKHFHSA-N 443.503 4.649 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCCNCc2ccc(Br)cc2O)CC1 691426469 ILJMPQYSQYSRIZ-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE CC(C)(C)OC(=O)NCC1(CCNCc2cc(Cl)cc(Br)c2O)CC1 708116153 VHYYYGGIJLIBED-UHFFFAOYSA-N 433.774 4.593 10 10 IJCE CCCN(Cc1nc(O)c2sccc2n1)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 1124762578 MUVVPANNMBKEOU-UHFFFAOYSA-N 434.565 4.786 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1O 1658211990 WSGDVVCAPXKYFG-QFIPXVFZSA-N 439.943 4.624 10 10 IJCE CC(C)Oc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1 1859076937 NMCZMSDNJKEJSM-UHFFFAOYSA-N 431.536 4.973 10 10 IJCE Cc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)cc2C)c1C 1866284780 JEVBVLKGBGYIHF-UHFFFAOYSA-N 440.503 4.785 10 10 IJCE CC[C@@H](N[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2095057892 FVZOSMPIWNRJKM-CXAGYDPISA-N 427.383 4.841 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(CNCc3cccc(Br)c3O)CCC[C@H]12 2165310672 PWGGZKATDHCAMV-UWJYYQICSA-N 439.394 4.814 10 10 IJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)cc1 2296398098 SMYSETRPMONZDZ-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE CCN(CC)c1ccc(C=C2SC(=O)N(CN(C)c3ccc(OC)cc3)C2=O)cc1 2313466068 BSXAOQQYQUHMLU-UHFFFAOYSA-N 425.554 4.672 10 10 IJCE Cc1cccc2cc(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCOCC3)nc12 2314648383 YYNFSSHSMZOWKH-UHFFFAOYSA-N 439.606 4.524 10 10 IJCE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1O 2321604247 HMGVVCQUJGVONQ-UHFFFAOYSA-N 436.898 4.677 10 10 IJCE N=C1/C(=C\c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(Cc3cccs3)=NN12 32964353 BBDUANHVWWVVKI-AMWUQPRHSA-N 435.509 4.540 10 10 IJCE CN(C)c1ccc(/C=C\[C@@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 229070419 OIHKKOMEIAGTHL-GQZPPLQUSA-N 440.385 4.542 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1OC 526248124 NHNKHGFJXDRUCD-HSZRJFAPSA-N 447.487 4.789 10 10 IJCE Cc1nc([C@H]2CCCCN2C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1 737881892 IBRJNFOEUAVLNV-LJQANCHMSA-N 443.345 4.915 10 10 IJCE O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1)c1ccccc1 779619286 KWQFLLZCJCXRHT-OAHLLOKOSA-N 428.895 4.540 10 10 IJCE CN(C)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 1084421000 NUHBBOSAILYITG-YVLHZVERSA-N 448.411 4.786 10 10 IJCE CCCNCc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)cc1Br 1915045666 JUQORJPLLKVABZ-UHFFFAOYSA-N 427.390 4.830 10 10 IJCE CC[C@@]1(NCc2c(O)cccc2Br)CCCN(C(=O)OCc2ccccc2)C1 2027850268 AFRHOHQLHQXLGS-JOCHJYFZSA-N 447.373 4.826 10 10 IJCE CCCCOc1ccccc1C=C1SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O 2293379596 MZDXMHFIVVHDDC-UHFFFAOYSA-N 435.593 4.966 10 10 IJCE N=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 2293644722 WTJOAGHHLBJSTO-UHFFFAOYSA-N 443.444 4.522 10 10 IJCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 2314563134 GFLGNGDQCFBPCP-UHFFFAOYSA-N 443.550 4.584 10 10 IJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)cc(Br)c1O 2332110914 QDXFGPTXUSBGSW-UHFFFAOYSA-N 447.304 4.884 10 10 IJCE CCOc1c(Br)cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC 2332125811 SLDNVFUAUIFGKT-UHFFFAOYSA-N 445.313 4.671 10 10 IJCE Cc1ccc(CN2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(O)c1Br 2381133848 UFCUFAUFNJVPDL-PZJWPPBQSA-N 429.402 4.807 10 10 IJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1 1138032 ROYXPNDAERXLTL-HYARGMPZSA-N 446.434 4.920 10 10 IJCE Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1 24819398 KRXRQWCDFOUPGP-UHFFFAOYSA-N 440.341 4.567 10 10 IJCE CC(C)COC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O 39899530 LWLXBYOQASEJKY-UHFFFAOYSA-N 442.471 4.919 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2ccc(F)cc2)cc1 205967225 RLBWQYJNMWVQPH-XQNSMLJCSA-N 431.467 4.980 10 10 IJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1O 687812276 KTOJHOBFUQSBAC-FQEVSTJZSA-N 439.414 4.725 10 10 IJCE Cc1c(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1NC(=O)N(C)C 791914951 RKPGHXLMWQZKIX-UHFFFAOYSA-N 433.556 4.860 10 10 IJCE Cc1ccc(N2C(=O)/C(=C/N3CCN(c4ccc(F)cc4)CC3)SC2=S)cc1Cl 1084619289 FBZSBAOYHILOBU-UYRXBGFRSA-N 447.988 4.816 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c1O 1460207174 IVLKQQUFKKZTTR-UHFFFAOYSA-N 436.980 4.861 10 10 IJCE CCn1c(O)nnc1C1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 1469446129 HJNYKZIVEYBUKW-UHFFFAOYSA-N 447.543 4.505 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]2CCC[C@@H]21 1925973164 ZWIIYYXQUXBQHD-KBMXLJTQSA-N 445.785 4.686 10 10 IJCE CCN1CCc2cc([C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2044751683 DDDXZKAFBQUBAC-NWVWQQAFSA-N 439.600 4.567 10 10 IJCE Cc1cc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 2295956206 COISQBPDWDEHLS-UHFFFAOYSA-N 426.303 4.862 10 10 IJCE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 2296730230 KQBJDCVCFROSHS-CYBMUJFWSA-N 442.518 4.814 10 10 IJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2313521358 IQXVCMUQSJBKSU-UHFFFAOYSA-N 436.103 4.723 10 10 IJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1C 2313560465 UJBIVVJRSVRPJP-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2314650614 RKDFJAINNDKSAW-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314755177 WXUJOEAWLZKGJL-UHFFFAOYSA-N 442.400 4.774 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@@H]2CCN3Cc2ccccc2)c(O)c1Br 2380792776 LZRZOSPRYXLDCK-NFBKMPQASA-N 429.402 4.998 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638800 UOSMDAFBLHQGFX-QKLQHJQFSA-N 433.371 4.526 10 10 IJCE CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469137 XRCZNYLOLYGZOV-CWNDDBTHSA-N 434.536 4.975 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471387 FCMNBQMWLLCLLL-JKSBSHDWSA-N 441.915 4.841 10 10 IJCE CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)OCC(C)C)C1=O 40888920 GOAOXBZQEFBXQN-ODLFYWEKSA-N 429.563 4.639 10 10 IJCE Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 40938492 RVUHIUMYPQQYIN-CPNJWEJPSA-N 427.547 4.640 10 10 IJCE Cc1nc2ccc(C(F)(F)F)cn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 71459941 BXPFCTQNIAESAC-UHFFFAOYSA-N 449.388 4.689 10 10 IJCE Cc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 205692156 JQTYWMWZLOFNLN-QGOAFFKASA-N 441.534 4.523 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226733077 FAEBHKGRLFQBOA-LPMFXHHGSA-N 439.364 4.776 10 10 IJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526175394 AJCNAZFWXWFHHU-DEOSSOPVSA-N 448.494 4.966 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705901359 QLJWYUANGWWLEJ-NLSFWIRASA-N 429.402 4.851 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 715058968 SIPROZNIZAWARD-ZNLUXHQJSA-N 429.402 4.993 10 10 IJCE COc1cccc(-c2ccc(CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)c1 745871735 RLBJNKYKDBJTGZ-VWLOTQADSA-N 446.547 4.959 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H]2COc3cc(F)c(Br)cc32)c1 800305408 BLZRHXKDSREDFZ-CQSZACIVSA-N 431.099 4.588 10 10 IJCE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684685 ULEWMVLQHMMMSH-UKTHLTGXSA-N 441.305 4.828 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)cc4OC)c3)CC2)cc1 1872849188 PDKCSGGPTIHQRI-UHFFFAOYSA-N 446.547 4.554 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(C(C)C)C2=O)cc1 1873168111 JJHOYXFDYTVJKN-FQEVSTJZSA-N 427.548 4.933 10 10 IJCE O=C(O)CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951599276 WPIQZMMMVIEOHP-KRWDZBQOSA-N 447.487 4.585 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NCc3cc(Cl)cc(Br)c3O)[C@H]1CC2 2229836314 MAVZSCIWPBWPEF-CWRNSKLLSA-N 445.785 4.828 10 10 IJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(Cc2ccc(F)cc2)C1=O 2294002117 NNZJRKHOAGUTMT-UHFFFAOYSA-N 442.512 4.680 10 10 IJCE CCCCOc1ccccc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 2314767710 HLXUBBSZMAOQNI-LJQANCHMSA-N 427.547 4.893 10 10 IJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 2314929083 GVNPWHWOIDJKPV-MRXNPFEDSA-N 433.938 4.988 10 10 IJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 2673010 VBKRIMWLAOCZPN-PDGQHHTCSA-N 442.518 4.815 10 10 IJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1 2679714 MZIQXISSOSEOMZ-WQRHYEAKSA-N 435.482 4.642 10 10 IJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1F 102837365 BYXHFDUWYYOLNJ-XDHOZWIPSA-N 439.537 4.908 10 10 IJCE O[C@@H](CNc1ccccc1OCc1ccccc1)COc1ccc(Br)cc1 312510284 AOJVWLQPVYKMFY-IBGZPJMESA-N 428.326 4.880 10 10 IJCE COc1ccc(C)cc1N1C(=O)C(O)=C(c2c[nH]c3ccccc23)[C@H]1c1ccc(O)c(O)c1 526448615 XEDXKCQXODNQIF-XMMPIXPASA-N 442.471 4.953 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Br)ccc3O)CCC[C@@H]12 2098313781 SMHQCKNXFOVVLE-YLJYHZDGSA-N 425.367 4.567 10 10 IJCE COc1ccc(C=C2SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1OC 2313501859 KMZPFFMYJBJAMW-UHFFFAOYSA-N 434.970 4.936 10 10 IJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)cc2)SC1=S 2314770097 ZEAZMHQMBGTGEJ-IBGZPJMESA-N 427.547 4.589 10 10 IJCE O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1 2321707050 MOSFODJRWPIOAE-UHFFFAOYSA-N 439.287 4.902 10 10 IJCE Cc1ccc(CNC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(O)c1Br 2381133936 VIYLGGGCBYROOD-INIZCTEOSA-N 441.410 4.978 10 10 IJCE O=C1N=C(N2CCCCCC2)S/C1=C1/C(=O)N(Cc2ccc(F)cc2)c2ccccc21 34263089 ZMMNBXMWPPMJDX-QZQOTICOSA-N 435.524 4.589 10 10 IJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526234688 BKPRYYUWYAQZNL-XMMPIXPASA-N 447.487 4.952 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1O 1307709099 BFSMZDNVEZOZJI-UHFFFAOYSA-N 443.849 4.630 10 10 IJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)N(C)C)cc1 1858594139 MSWSWGFIEOXUGI-LPGQDOADSA-N 432.998 4.853 10 10 IJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCCCCC2)n1 1859833069 ZWICEQQPZSYIBZ-UHFFFAOYSA-N 426.520 4.938 10 10 IJCE CCOC(=O)c1c(NC(=O)[C@H](N)CCSC)sc(C)c1-c1ccc(Cl)cc1 1865920766 SXZVTOQJSCMJED-CQSZACIVSA-N 426.991 4.573 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)[C@@H]1C(C)(C)C 1877308824 ZDPBKZOGUQPNHD-NVXWUHKLSA-N 427.383 4.668 10 10 IJCE CC1(CCNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2059319000 BCWHZXJFVBFETC-UHFFFAOYSA-N 433.774 4.545 10 10 IJCE CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560571 YDLITDBBOCFHDX-UHFFFAOYSA-N 427.504 4.665 10 10 IJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NC2CCCCCC2)cc1 2313682488 DFLYQMIVCJALMS-UHFFFAOYSA-N 448.523 4.941 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)c1 2314831966 WQSVRECKWQHMDB-UHFFFAOYSA-N 446.981 4.974 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 2323739205 SNQHDYYNNTZJJQ-UHFFFAOYSA-N 434.926 4.701 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 38642696 DJGXCATUXUQYDA-NLWGTHIKSA-N 425.400 4.851 10 10 IJCE Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)cc1 223382360 ODJCIRWAGSBFMU-DEOSSOPVSA-N 426.520 4.705 10 10 IJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1O 687747371 ADORAKPDMIAUAO-VWLOTQADSA-N 435.451 4.760 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNCc1cc(Cl)cc(Br)c1O 721111061 DFUGPGSNIBNXKD-QWHCGFSZSA-N 447.801 4.791 10 10 IJCE CN(C)c1ccc(CN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C2CC2)cc1 727303235 PSKNXQJDHYPQNO-UHFFFAOYSA-N 434.609 4.770 10 10 IJCE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1465395433 YWNHSTHSOLUDSE-DTQAZKPQSA-N 433.379 4.922 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 1860084134 GDLZUOJSZBNHGV-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3cccs3)C2=O)cc1 1873167230 XHFCRXOUFPURPP-UHFFFAOYSA-N 433.577 4.681 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3cc(Br)cc(F)c3O)[C@H]1CC2 1966051840 WHFKDWWRXDNMBP-BHYGNILZSA-N 443.357 4.704 10 10 IJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2Br)cc1C 2080030834 SOCVRPFCQOVGMS-CYBMUJFWSA-N 433.224 4.684 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)ccc2O)CC12CCCCC2 2155200791 IEERWVGMJIQAJN-QGZVFWFLSA-N 439.394 4.957 10 10 IJCE CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 2294095206 LLMKJRBDEAVCTE-UHFFFAOYSA-N 441.531 4.940 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(N=Nc2ccccc2)ccc1O 2313557797 MDNRELWBGZEJSA-UHFFFAOYSA-N 430.395 4.613 10 10 IJCE COc1cc(OC)cc(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)c1 2321741669 BLIUWURLHAKNPL-UHFFFAOYSA-N 440.546 4.610 10 10 IJCE Cc1c(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 8765927 WMRYPEWMRIJRJR-SFQUDFHCSA-N 441.965 4.544 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1 14463935 DZWFCMAGOOXVNO-KJOQGJGQSA-N 446.572 4.687 10 10 IJCE Cc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)c(C)n1-c1ccccc1F 108732764 DHBTVIWUZLEXBH-UHFFFAOYSA-N 445.494 4.686 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNCCc1sccc1Br 713026521 XHZCOYQIMFMQPT-UHFFFAOYSA-N 425.573 4.964 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 745849968 UAXYSRQRNINTSL-REWPJTCUSA-N 428.646 4.817 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NCc3ccc(Br)cc3O)C2)CC1 1254733679 NGMIUQNWDPAJOQ-QGZVFWFLSA-N 439.394 4.814 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc(N(C)C)cc2)cc1 1865653985 CMJRCJSHGXJCRA-LFVJCYFKSA-N 429.495 4.730 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(-c2ccc(F)cc2)cc1 1892024720 HNBORTQKGMATDY-CYFREDJKSA-N 436.552 4.960 10 10 IJCE CC(C)(C)OC(=O)NC1CCC(CNCc2cc(Cl)cc(Br)c2O)CC1 2101515328 BUVGDOKQEIXXQC-UHFFFAOYSA-N 447.801 4.981 10 10 IJCE CNCc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935328 MJQHMOYZFIMWHE-RTWAWAEBSA-N 428.418 4.517 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2ccc(Br)cc2O)C[C@H]2CCCC[C@@H]21 2241008542 MSWXBPHARZNKAA-JLSDUUJJSA-N 439.394 4.813 10 10 IJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 2294094928 FBJXYPDPVXJRRY-OAHLLOKOSA-N 426.900 4.801 10 10 IJCE CC[C@H](C1=NN2C(=N)C(=Cc3coc4ccccc4c3=O)C(=O)N=C2S1)c1ccccc1 2297350850 SVWISZBRWILCKY-INIZCTEOSA-N 442.500 4.606 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc(F)cc1 2314828739 WXQCOUAOVRLIAM-UHFFFAOYSA-N 441.336 4.972 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1)c1cc(Br)ccc1O 2357991381 PHOYEDPVYKSRAD-MAPLJDINSA-N 439.394 4.887 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@H]3CCC[C@H]3N2C(=O)OC(C)(C)C)c(O)c1Br 2381134215 ZLDFSKQUUHGJKH-HYVNUMGLSA-N 439.394 4.731 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13643862 MXPJUCMCPQXBRX-HFMPRLQTSA-N 425.598 4.610 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468739 CEOPADWUKNSSMC-AXHZCLLHSA-N 432.520 4.683 10 10 IJCE CCN(C(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1)c1cccc2ccccc12 14568595 QQEAIAUFMHFBFM-UHFFFAOYSA-N 444.487 4.638 10 10 IJCE COc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc(Br)c2)C(=O)N=C1O 33318018 LUOROFAVOJQPPA-ZSOIEALJSA-N 435.661 4.618 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526252980 OQKOXLWOATWNLY-DEOSSOPVSA-N 447.487 4.789 10 10 IJCE CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586691755 DPRBKAOBKMYICI-UHFFFAOYSA-N 441.487 4.634 10 10 IJCE Cc1ccc(/C=C\C(=O)Nc2ccc(N(C)C(=O)/C=C/c3ccc(C)nc3)c(C)c2)cn1 754350146 CPWIAMKMXYDYPW-ZKLMZBBOSA-N 426.520 4.730 10 10 IJCE 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CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2CC(O)(Cc2nc(C(C)(C)C)cs2)C3)c1O 1655749412 UUVUDICHOLKIRV-ROUUACIJSA-N 446.588 4.589 10 10 IJCE O=S(=O)(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc2nsnc12 1892428941 UNBOQIPSFSQXJK-UHFFFAOYSA-N 431.926 4.725 10 10 IJCE CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]12)c1cc(Br)ccc1O 1925998302 ZXIOHTOOGCNNNI-DZJNRPSUSA-N 439.394 4.983 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3c(O)cccc3Br)[C@H]1CC2 1966050891 LRJIJGDBDPLZBR-RRQGHBQHSA-N 425.367 4.565 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C(=O)O)c1I 2079956772 LLGDCJWIILEXNF-CYBMUJFWSA-N 442.297 4.631 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNCc1cc(Br)cc(F)c1O 2145600431 PVVPHKKNYASWTH-VBKZILBWSA-N 443.357 4.563 10 10 IJCE N=C1C(=Cc2ccc(Br)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 2293374315 IURPKEMSFAXFRT-UHFFFAOYSA-N 445.729 4.770 10 10 IJCE CN(C)c1ccc(C=C[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 2296842964 OIHKKOMEIAGTHL-QHCPKHFHSA-N 440.385 4.542 10 10 IJCE CCOC(=O)c1c(NC=C2C(=O)N(c3ccc(OC)cc3)N=C2C)sc2c1CCCC2 2297511489 PGBFBJWRSSODBZ-UHFFFAOYSA-N 439.537 4.531 10 10 IJCE CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 33406231 VEPUYJTWNUTUOJ-FYWRMAATSA-N 446.623 4.501 10 10 IJCE CCCCCC1=NN2C(=N)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 102465686 DHYVKSMEGTZJNC-JFDGEBKMSA-N 448.390 4.715 10 10 IJCE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)CC)CC1 1705634649 FFYGECVVBGLYLZ-UHFFFAOYSA-N 444.627 4.544 10 10 IJCE CCC[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867015313 JWZFORULBFIJIB-AOMKIAJQSA-N 446.547 4.512 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3cccc(Br)c3O)[C@H]1CC2 2097863340 ISDMCYIQTVQRTM-BHYGNILZSA-N 425.367 4.565 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1 2296881450 IHFSOWOVASNCNU-UHFFFAOYSA-N 445.978 4.790 10 10 IJCE Cc1ccc(CN[C@H](C)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352952905 QNMMSRNCVSFACN-IJEWVQPXSA-N 427.383 4.635 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2c(NCCC)nc3ccc(C)cn3c2=O)SC1=S 33474142 VNHIHJLKYLELBI-GHRIWEEISA-N 444.626 4.606 10 10 IJCE O=C(O)CCCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 96997896 DNSTZHBUMFXLKH-WJDWOHSUSA-N 448.547 4.779 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 208353279 JMFAANPTPZXSRC-UNOMPAQXSA-N 449.444 4.724 10 10 IJCE CCOc1cc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCCC(=O)O 210469127 MGRQTUZHPPEHJX-ZHZULCJRSA-N 440.521 4.584 10 10 IJCE CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc(Br)ccc1O 401528614 VGHLNUQTWFNTKG-RDJZCZTQSA-N 427.383 4.983 10 10 IJCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708072317 GIJPNWIZGQQYOO-IAQYHMDHSA-N 433.774 4.591 10 10 IJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1scnc1C 1705480064 QTMVEEMYQFNDRF-QGZVFWFLSA-N 444.608 4.818 10 10 IJCE Cc1cc2oc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2cc1Cl 1859707051 GJPKISDMPZYJEK-UHFFFAOYSA-N 443.842 4.783 10 10 IJCE CC[C@H](C)N1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164942 ZNKSOIWVDCWLHQ-KRWDZBQOSA-N 445.538 4.901 10 10 IJCE CC1(c2c(C3CC3)nn(Cc3cccc(Cl)c3O)c2I)CC1 2079735509 BVMHYQPGRFALND-UHFFFAOYSA-N 428.701 4.824 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080022278 HYQZVHNAVTXEMP-SFHVURJKSA-N 449.345 4.803 10 10 IJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1Cc1ccccc1 2297531891 SDKVPNIVHJHFNS-UHFFFAOYSA-N 437.327 4.693 10 10 IJCE O=C(O)c1ccccc1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2321709029 JUNBTYKRSYUJRH-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1C 1151539 NOSGFBSSLRLKCA-WOJGMQOQSA-N 437.839 4.586 10 10 IJCE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 14473690 BRYDGEOORGKRBH-ISJBWFOZSA-N 446.572 4.740 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 40940410 QHPUFFGRPCRZOA-LFIBNONCSA-N 447.379 4.558 10 10 IJCE Cc1ccc2[nH]c(C)c(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2c1 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COC(=O)c1ccc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1 210500106 HDKWSCIBRHCFDE-OBGWFSINSA-N 449.594 4.880 10 10 IJCE O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21)N1CCOCC1 226748456 WPEGNHQGXCLIEN-YHEJKZAPSA-N 439.899 4.547 10 10 IJCE O=C(N1CCc2c(NCc3cc(Cl)cc(Br)c3O)cccc21)C(F)(F)F 721174797 SFMINBJYZUFCBN-UHFFFAOYSA-N 449.654 4.872 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1858589734 HIOGMROZYZGQMY-AQAISJADSA-N 446.638 4.714 10 10 IJCE CCc1cc(=Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2ccc(OC)cc2)[nH]1 1859832778 LXIDFNFZAFAAEJ-UHFFFAOYSA-N 435.483 4.656 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(F)cc1 1860759537 VKKXFTBARWYDJX-DYVFJYSZSA-N 446.544 4.673 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc(OC)c1OC 1865668134 HUSWVACZTOWHAJ-MFOYZWKCSA-N 448.441 4.673 10 10 IJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccccc2)N=C1c1ccccc1 1865678362 INFQFGCCAQYXBV-STZFKDTASA-N 428.488 4.543 10 10 IJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)CC2)cc1 1872883881 BFXSCUGOUOXXBW-UHFFFAOYSA-N 435.955 4.923 10 10 IJCE CC[C@H](C)N1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166505 BKHLRJPOXPUVRD-KRWDZBQOSA-N 445.538 4.901 10 10 IJCE CCN[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2044752044 HYXHMTWGCICZHO-VWNXMTODSA-N 441.616 4.903 10 10 IJCE CCc1c(C2CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079827140 HIVQGYHHDXSYGB-UHFFFAOYSA-N 436.215 4.700 10 10 IJCE CC[C@@H](NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104676089 KQIAEEFBLSQYHR-UZLBHIALSA-N 427.383 4.843 10 10 IJCE C[C@@H]1C[C@H](CNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2115922408 HISKEIUGZQYMIQ-CHWSQXEVSA-N 447.801 4.791 10 10 IJCE CC[C@@H](NC[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168248581 LZIPXSUVGPQBDR-AUJRIZCKSA-N 445.373 4.838 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CC[C@H]2NCc2cc(Br)cc(F)c2O)CC1 2189317119 BGSRABRZMDWSTI-MRXNPFEDSA-N 443.357 4.563 10 10 IJCE CN(C)c1ccc(C=C2CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(N(C)C)cc2)cc1 2296887397 NGMMQSGAOTYTST-VWLOTQADSA-N 426.568 4.599 10 10 IJCE O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)C1=Cc1cccs1 2297350631 YEQFGKSTECFBRK-UHFFFAOYSA-N 438.892 4.647 10 10 IJCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OCCCOc1ccc(C)c(C)c1 2297499369 WJGZJAWYOYVVGI-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CCc1ccc(N[C@@H]2NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 2297506326 BNQNNPJGZQUDEN-RUZDIDTESA-N 447.560 4.954 10 10 IJCE Cc1ccc(CN2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(O)c1Br 2381133847 UFCUFAUFNJVPDL-FPOVZHCZSA-N 429.402 4.807 10 10 IJCE N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(c3ccco3)=NN12 33315570 HOLAMPJJXISLAT-NFBUKIRSSA-N 446.463 4.665 10 10 IJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C(O)=NC2=S)c1 33913122 HMNLBAKEXMGLRM-BKUYFWCQSA-N 430.533 4.778 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1 103039084 BCFUKMGROKHOFV-MHWRWJLKSA-N 436.352 4.872 10 10 IJCE CC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586694017 WVNWNDQBHOOPHH-OAHLLOKOSA-N 441.487 4.634 10 10 IJCE CC(C)(C)OC(=O)N1CCC(CCCNCc2c(O)cccc2Br)CC1 706853856 CTFKUGKCUKIMIP-UHFFFAOYSA-N 427.383 4.672 10 10 IJCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708155527 BQRPHRFHBAMRJW-NHYWBVRUSA-N 433.774 4.543 10 10 IJCE COc1ccc(-c2cnc(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)o2)cc1 743429310 JUDXJKYPRJMJNW-UHFFFAOYSA-N 432.476 4.810 10 10 IJCE Cc1oc2c(CN3CCCC[C@H]3c3ccnn3C)c(O)ccc2c(=O)c1-c1ccccc1 799148651 FCPDLARIORILSJ-QFIPXVFZSA-N 429.520 4.935 10 10 IJCE c1cncc(Cc2nnc(N3CCCCCCC3)n2CCCSc2nccs2)c1 1286529637 UIOZGMLPNKDLNW-UHFFFAOYSA-N 428.631 4.673 10 10 IJCE CC(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 1631531659 XTMJBGBKQXUVNV-OAQYLSRUSA-N 430.548 4.573 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 1858590635 BSVVWGFVXMDJDA-CPNJWEJPSA-N 426.563 4.632 10 10 IJCE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858683784 DRJYMTYJBUWHEW-UHFFFAOYSA-N 434.496 4.724 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)ccc1OC 1860087863 XCGHVXIWNVWGGE-WOJGMQOQSA-N 430.507 4.716 10 10 IJCE CCN1CCc2cc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1951591603 ZCDFWZSCBMAQKP-VWLOTQADSA-N 442.515 4.733 10 10 IJCE C[C@H]1CN(c2ccc(CNC3CCC3)cc2Br)CCN1Cc1ccccc1 2240055068 WRJWQROQPXVMBS-SFHVURJKSA-N 428.418 4.802 10 10 IJCE CCCCOc1ccc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 2296759644 UYOGFYOPHHQNPR-UHFFFAOYSA-N 435.593 4.654 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 2297302366 XWIOHNIZKMIDJC-UHFFFAOYSA-N 436.489 4.616 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)ccc1OC 2313510742 LIOLCUOTWUSUOX-UHFFFAOYSA-N 448.302 4.888 10 10 IJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)CC)C1=O 2314414453 ZMTCLFSKMCMRIR-HNNXBMFYSA-N 444.626 4.605 10 10 IJCE CC(=C1SC(N(C)c2ccccc2C(=O)O)=NC1=O)c1ccc(Br)cc1 2314557701 ZDVMLOPRLVNMGQ-UHFFFAOYSA-N 431.311 4.644 10 10 IJCE COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)c1 2321683350 HRGMKWPQZDAVBE-UHFFFAOYSA-N 440.911 4.502 10 10 IJCE CCCCOCc1cc(CN2CCN(c3ccccc3OC)CC2)c(O)c2ncccc12 9409336 FRIMSIMTGSLLKS-UHFFFAOYSA-N 435.568 4.588 10 10 IJCE CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2cccc(C)c2)SC1=S 27531660 NZKYICGJXODBOW-CPNJWEJPSA-N 444.534 4.582 10 10 IJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(O)=NC2=S)cc1C 33332640 RHIRJISTFRLDJB-MTJSOVHGSA-N 430.533 4.778 10 10 IJCE CN1CCc2cc(CNc3ccc(I)c(Br)c3)ccc21 383579829 HFZMTCBIBGCKDS-UHFFFAOYSA-N 443.126 4.658 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CCNCc1c(O)cccc1Br)c1ccccc1 706842467 LGJFUPDZJHUCJI-GOSISDBHSA-N 435.362 4.900 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CCNCc2cc(Br)cc(F)c2O)cc1 715829916 UQLNGWMYNUIXOO-UHFFFAOYSA-N 439.325 4.973 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)CC2)cc1 758570185 DIFFBXMUPRVWOD-UHFFFAOYSA-N 449.576 4.670 10 10 IJCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 808094125 BLXBFNOYCVNWLE-UHFFFAOYSA-N 427.472 4.508 10 10 IJCE C[C@@H]1CN(C2=NC(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3c3ccccc3)S2)C[C@@H](C)O1 1772721922 IHLSEVPMTLNXFC-PJJAAUFLSA-N 432.545 4.826 10 10 IJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)CC1 1858591722 XCGLOBTXHKPABJ-RVDMUPIBSA-N 444.500 4.528 10 10 IJCE CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592015 GIEYRMOIUISOKN-CVNFFVDQSA-N 441.574 4.966 10 10 IJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)ccc1O 1951594078 ZIFDCFHUISDYLL-QHCPKHFHSA-N 447.487 4.933 10 10 IJCE CC[C@H](N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1998331056 MTYAPUAWILYWSO-SCTDSRPQSA-N 433.346 4.653 10 10 IJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2088292118 OKGMGAPEBMFMAB-IPELMVKDSA-N 435.793 4.951 10 10 IJCE CNCc1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2152790919 OCDLGKPMOXWQHH-UHFFFAOYSA-N 438.360 4.516 10 10 IJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1 2296397920 HICBSRPCMSAZDE-UHFFFAOYSA-N 449.510 4.973 10 10 IJCE COc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2ccc(OC)c(OC)c2)c1 2297300841 JSYFYESSMYMZKG-UHFFFAOYSA-N 444.487 4.556 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 2297467783 RIKFKVKGCLPMSS-UHFFFAOYSA-N 429.958 4.687 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Br)c1O 2329597136 JQUYPMRECXTAKH-KUDNYVPYSA-N 445.785 4.590 10 10 IJCE Cc1ccc(CNCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2352943713 XIFYAHWHEBTAIK-OAHLLOKOSA-N 427.383 4.590 10 10 IJCE COCCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21 14467844 GLGDCFZKBKRYGZ-IAMHBRQHSA-N 433.335 4.902 10 10 IJCE CCOc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCCC(=O)O 16920035 NGAIHTNYHINOHO-DEDYPNTBSA-N 440.521 4.638 10 10 IJCE COc1cccc(-n2cccc2/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1 32964474 UZHBPPSUNRESTI-IJFTXDGJSA-N 433.537 4.685 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=S 40888916 OUQFAYQSRJBWCZ-RGEXLXHISA-N 429.563 4.783 10 10 IJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(C)C 141625353 YFWKCAIXWYPGDV-LDADJPATSA-N 437.583 4.576 10 10 IJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(C)c(C)c1 205946127 IBSWBGFXMJPHAP-RCCKNPSSSA-N 434.521 4.565 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 210708595 RFCGRSOJQOARNQ-NTCAYCPXSA-N 431.608 4.671 10 10 IJCE CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCn2c(O)nc3ccccc32)cc1 1137223699 KBDOYEPKJBRVJJ-UHFFFAOYSA-N 428.496 4.653 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)CC2)cc1 1861869545 MNYHRZAYQFYJEJ-UHFFFAOYSA-N 426.520 4.509 10 10 IJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1Cl 1865677964 MKICCWMEKPWUEL-PDGQHHTCSA-N 433.851 4.784 10 10 IJCE CN(C)CCCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2034710467 NPVSJCHSPFWICB-UHFFFAOYSA-N 438.616 4.520 10 10 IJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080012732 SXLBUPAEEUJBPG-LJQANCHMSA-N 449.345 4.803 10 10 IJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C=O)c1I 2080022238 HJJZFBPJVGAQFT-OAHLLOKOSA-N 440.325 4.920 10 10 IJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080038677 SROYGCSIKVRHCK-KRWDZBQOSA-N 449.345 4.587 10 10 IJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 2293128362 LESAPTXRFFKDQO-UHFFFAOYSA-N 435.483 4.664 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccccc1 2314831602 OFWAFVPKTFBVLE-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE CCN(CC)c1ccc(C=C2C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cc1 2332130762 SVCWDRADDYOXIR-UHFFFAOYSA-N 426.520 4.771 10 10 IJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 33317971 RXBGVKDLDKITDY-SFQUDFHCSA-N 426.350 4.993 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NC2CC(C)(C)NC(C)(C)C2)cc1 205962924 BEMHHJHWIUMRTA-PTGBLXJZSA-N 446.595 4.619 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 380672954 XDBWDADTDQTTJA-YZGWKJHDSA-N 428.418 4.688 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526456798 RMCNMUHRKFZGFH-XMMPIXPASA-N 447.487 4.789 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1I 706284594 MZHHJQANQCCIIE-QMMMGPOBSA-N 425.057 4.513 10 10 IJCE CC(=O)c1cc(Cl)cc(CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1O 1307853598 SEUANFQHHJQXDS-GOSISDBHSA-N 430.932 4.704 10 10 IJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccncc3)c3ccccc3)cccc21 1868169604 KVJROJGZHKMNIM-HSZRJFAPSA-N 432.479 4.822 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(F)c(F)c4)cc3)CC2)cc1 1872873569 CDMVBNZOKAETJG-UHFFFAOYSA-N 438.474 4.515 10 10 IJCE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CN=[N+]=[N-])CC1 1901530806 NSETYWPGFYVNKK-HSZRJFAPSA-N 447.539 4.853 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2NCc2cccc(Br)c2O)CC1 2144613323 MZQFAJDRMPQNAZ-QGZVFWFLSA-N 439.394 4.814 10 10 IJCE CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]12)c1cc(Br)ccc1O 2177715509 KDOLRPPMZSCNEL-DZJNRPSUSA-N 439.394 4.983 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 2297335311 SQGWCUQHEXMDJU-UHFFFAOYSA-N 449.981 4.912 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc(OC)c1O 2313609440 ICWZFLDNBKYOIP-UHFFFAOYSA-N 441.452 4.834 10 10 IJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462814 SNFBEKCUXYGJKM-HWBMXIPRSA-N 438.593 4.657 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1C 59858805 CVRXCAOQNKBRKF-LPYMAVHISA-N 428.492 4.672 10 10 IJCE CC(C)CNCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1Br 380461720 HHRTVQFFRXKOFC-YADHBBJMSA-N 428.418 4.658 10 10 IJCE CCN(CC)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586661704 IWSVGWVKXBKOTR-UHFFFAOYSA-N 441.487 4.588 10 10 IJCE CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1184937911 RLDVRWWZLWBWGV-STQMWFEESA-N 425.426 4.668 10 10 IJCE CCCc1cc(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12 1565539025 HNBXDNQNJAZIOU-UTKZUKDTSA-N 432.992 4.801 10 10 IJCE CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1632376847 MITXDEZBMHPTSU-QFIPXVFZSA-N 439.353 4.787 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1865992100 LJEJXDLODOBKKN-QFIPXVFZSA-N 434.411 4.945 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4[nH]3)cc2)cc1 1866171540 VHTWRTCUDIIVGR-UHFFFAOYSA-N 448.320 4.716 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1c1cc(Cl)cc(Br)c1O 1952537211 JZDLQRDZGFHWIJ-TVQRCGJNSA-N 434.714 4.581 10 10 IJCE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2Br)c(O)c1 2079857903 HUOVZLIGUNUKEQ-AWEZNQCLSA-N 433.224 4.581 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cc(Br)cs1 2106758524 YSZHPOWYGZMFOI-INIZCTEOSA-N 440.407 4.672 10 10 IJCE CC[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC)c1cc(Br)ccc1O 2140650031 JSBMZGHDFKEDFX-YQQAZPJKSA-N 445.423 4.546 10 10 IJCE CNCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148926154 ASSPFBCDIDDUIN-FPOVZHCZSA-N 428.418 4.517 10 10 IJCE C[C@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@@H](C)CN1Cc1ccccc1 2152187870 XODDIBUCYYJGHP-IRXDYDNUSA-N 429.358 4.646 10 10 IJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 2313631476 OJYCBFULZJTOFM-UHFFFAOYSA-N 449.510 4.909 10 10 IJCE O=C(O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)SC1=S 2314770139 ZOKJZOLRSIMUKW-UHFFFAOYSA-N 433.938 4.595 10 10 IJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323812505 VRIAOKLCCQEWAM-GOSISDBHSA-N 427.547 4.720 10 10 IJCE O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 13073362 AQEGNSRWJKMZAD-UYRXBGFRSA-N 427.457 4.982 10 10 IJCE O=C(O)CCOc1cccc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)c1 16908356 HCKFUGITSRCISI-XNTDXEJSSA-N 437.304 4.929 10 10 IJCE Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)s2)c(C)c1 109399429 ZDGWBDXHNHUDNO-UHFFFAOYSA-N 435.593 4.844 10 10 IJCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(Br)s1 213405364 RWSHITAOUSLJOG-UHFFFAOYSA-N 437.551 4.977 10 10 IJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526352650 HHPSQWULOYOVBW-NRFANRHFSA-N 434.517 4.658 10 10 IJCE CC(=O)c1cccc(N2C(=O)C(O)=C(c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(O)c2)c1 526437433 SQUOPSMTWATADZ-DEOSSOPVSA-N 440.455 4.839 10 10 IJCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 708156209 GMSFYBHDOWAVGT-IAQYHMDHSA-N 433.774 4.543 10 10 IJCE CCNCc1ccc(N(C)C[C@H]2CCCN(Cc3ccccc3)C2)cc1Br 719949172 XLZUUNGZWJYDMA-HXUWFJFHSA-N 430.434 4.907 10 10 IJCE CC[C@@H](N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 1948172004 RENUDQBUJHVAEK-IEBWSBKVSA-N 433.346 4.607 10 10 IJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1984695172 PGEFSBFFOQBAKT-SBUREZEXSA-N 447.539 4.709 10 10 IJCE CC[C@@H](NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C)c1cc(Br)ccc1O 2093119784 GCIHOEFFIAIQTD-USYLUDSSSA-N 425.367 4.641 10 10 IJCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)cc1Br 2151080441 RMOGLGUTILRVTO-QHCPKHFHSA-N 428.418 4.659 10 10 IJCE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(C=CC(=O)O)cc1Br 2152187170 PPTQHOIOFXCVHD-SJORKVTESA-N 429.358 4.646 10 10 IJCE CC(C)(C)OC(=O)Nc1ccc(CCCNCc2cc(Br)ccc2O)cn1 2169170550 XSWGHNBRDPSJTO-UHFFFAOYSA-N 436.350 4.619 10 10 IJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4OCC)c3C)C(=O)N=C2S1 2297500116 KMBQFLCXDDUELI-UHFFFAOYSA-N 435.553 4.912 10 10 IJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 2297511679 YBIMEKZKOUXMSD-UHFFFAOYSA-N 447.745 4.853 10 10 IJCE COc1ccc(CN2C(=O)C(=CC3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1 2314450808 TWPBCXVHAUMWPN-AWEZNQCLSA-N 439.558 4.813 10 10 IJCE CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 8891496 FITCNGYDDBMFMC-SANMLTNESA-N 447.510 4.582 10 10 IJCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 16908127 QOVZCVDLSXZHFA-CXUHLZMHSA-N 437.901 4.738 10 10 IJCE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc(-c2ccc(C)cc2)o1 31617160 OYLVBAOZJNMGMK-UHFFFAOYSA-N 434.521 4.992 10 10 IJCE CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccccc1 58834248 AKIPFEYPUGAPBQ-UHFFFAOYSA-N 430.456 4.847 10 10 IJCE CCN(CC)S(=O)(=O)c1ccc(N=Nc2cc(C)cc(Br)c2O)cc1 252462906 XGCOJPQJVQGWSR-UHFFFAOYSA-N 426.336 4.909 10 10 IJCE CC(C)CCOC(=O)CCOc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287010 FIDSNHGUEFKIHI-CPNJWEJPSA-N 435.611 4.902 10 10 IJCE CN(C)c1ccc([C@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2044751339 ZSOQXACBDUZSNB-OZXSUGGESA-N 439.600 4.596 10 10 IJCE CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 2297326785 HWUCBDWFJQRGJH-UHFFFAOYSA-N 428.872 4.642 10 10 IJCE CCc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879761 DDPWAMJUUQMKKH-HXUWFJFHSA-N 426.607 4.762 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467325 FAEBHKGRLFQBOA-IQUTYRLHSA-N 439.364 4.776 10 10 IJCE COc1ccc(-n2c(CCC(=O)N[C@@H](C)CN(C)C)ccc2-c2ccc(Cl)cc2)cc1 23333933 PMMBSIHNWOAMKX-SFHVURJKSA-N 439.987 4.805 10 10 IJCE O=C(CC1CCCCC1)NCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 109813581 UJINFQGACFASSH-MHZLTWQESA-N 430.548 4.838 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526217561 ZNPDQSJVSRNFHU-XMMPIXPASA-N 430.504 4.827 10 10 IJCE O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(Cl)ccc1OCC(F)(F)F 741057126 QVCFIEVNPGDWHS-UHFFFAOYSA-N 425.838 4.979 10 10 IJCE Cc1cc(Br)c(O)c(CN[C@@H](c2cncc(Br)c2)C2CC2)c1 790624382 ZILKQQPGOOPDGQ-MRXNPFEDSA-N 426.152 4.862 10 10 IJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cccc([N+](=O)[O-])c3)C1=O)cn2C 1860085582 BAAJPPKLBHVDQP-QGMBQPNBSA-N 425.491 4.501 10 10 IJCE COC(=O)c1c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)sc(C)c1-c1ccccc1 1865941579 VXMOPMWMPJUOFE-UHFFFAOYSA-N 434.517 4.671 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1984695170 PGEFSBFFOQBAKT-GAJHUEQPSA-N 447.539 4.709 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)OCc1cccc(Cl)c1 2040496666 UAIXUEHNMZTSIT-UHFFFAOYSA-N 435.929 4.814 10 10 IJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1F 2296712230 LSWBYFSPXXCFQP-UHFFFAOYSA-N 425.510 4.518 10 10 IJCE CCOc1ccc2ccccc2c1C=C1SC(=S)N(NC(=O)c2ccccc2)C1=O 2314764955 QFIXGGQGTCJALC-UHFFFAOYSA-N 434.542 4.785 10 10 IJCE Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1C 10913199 WGQLBMRKBVGHLL-MHZLTWQESA-N 438.527 4.798 10 10 IJCE C[C@H]1SC(=S)N(CCCCCC(=O)NC(c2ccccc2)c2ccccc2)C1=O 11636579 BQHPBGMXMGKKQD-QGZVFWFLSA-N 426.607 4.701 10 10 IJCE C=CCN1C(=O)/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)SC1=S 34707268 DWKRHTXUFUCPNH-FYJGNVAPSA-N 448.569 4.863 10 10 IJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 205967322 VFRZHVOAGHZLSP-HAVVHWLPSA-N 441.487 4.619 10 10 IJCE CCC[C@@]1(CNCc2ccc(Br)cc2O)CCCN1C(=O)OC(C)(C)C 691391325 KGTLHPVVUVLJJP-FQEVSTJZSA-N 427.383 4.814 10 10 IJCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 745849965 UAXYSRQRNINTSL-NZQKXSOJSA-N 428.646 4.817 10 10 IJCE CCN(CC)c1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 779620248 RDQQFSOEXXRGIS-JOCHJYFZSA-N 431.584 4.888 10 10 IJCE O=C1c2ccccc2C(=O)c2cc(N3C(=O)/C(=C\c4ccccc4)SC3=S)ccc21 1860086848 KTGIUDPYLPCLJK-UDWIEESQSA-N 427.506 4.868 10 10 IJCE CCN(c1ccc(C=CC(=O)O)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 1915042107 SQGHULOVDNJYGS-HXUWFJFHSA-N 429.358 4.648 10 10 IJCE CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2090351210 WJNFPWPMMFOOAB-TZMCWYRMSA-N 441.288 4.651 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280341428 CEORXZFBPBDBHC-LLVKDONJSA-N 445.142 4.710 10 10 IJCE O=C1NC(=S)SC1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2297331603 QCXRNDONRDCAOU-UHFFFAOYSA-N 426.397 4.895 10 10 IJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)C(=O)O 2314932007 SMDPWYBIIKBSNE-INIZCTEOSA-N 433.938 4.988 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)c1O 2321683399 XIQBKTVIIKARPT-UHFFFAOYSA-N 449.937 4.637 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@]2(CNCc3cc(Cl)cc(Br)c3O)CC[C@H]1C2 2338387602 DVLXBZYYKLXWSQ-LIRRHRJNSA-N 445.785 4.687 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472991 YMEMSAGTWABUIU-VWKPWSFCSA-N 447.944 4.763 10 10 IJCE CCOC(=O)C[C@@H](NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1 20943397 OQPTXQOWELMALU-XMMPIXPASA-N 449.551 4.596 10 10 IJCE COc1ccc(N2CCN(C(=O)c3c(-c4ccc(C)cc4)nnc4ccccc34)CC2)cc1 32952915 JRCFCCPQEXIPMR-UHFFFAOYSA-N 438.531 4.576 10 10 IJCE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1Cl 32964410 REPLNSRUKOGAEQ-DXIKEOKKSA-N 441.944 4.805 10 10 IJCE Cc1cccc(COc2ccc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)cc2)c1 40938470 VWBNXGAVDAZKIM-CPNJWEJPSA-N 427.547 4.640 10 10 IJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1 207044706 MMQZBNZPBDYDQA-XFFZJAGNSA-N 447.510 4.521 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 210674631 QBVPOZKNTYSYSG-LDADJPATSA-N 426.563 4.530 10 10 IJCE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 745646197 CAJCSTCBHHNKSY-SBUREZEXSA-N 443.563 4.625 10 10 IJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 1084450920 YFJDGNUIJKXHAY-LPYMAVHISA-N 444.495 4.733 10 10 IJCE Cc1nc(NCC(=O)NCc2ccc(N(C)C)cc2C)c2cc(-c3ccccc3)sc2n1 1543310009 MQCKQARIZHWKKE-UHFFFAOYSA-N 445.592 4.769 10 10 IJCE CCc1nn(Cc2cccc(Br)c2O)c(Br)c1C(F)(F)F 2079653912 DAKBOZWQSOMVIL-UHFFFAOYSA-N 428.046 4.743 10 10 IJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 2297470274 CXCFZLQYJNALLS-UHFFFAOYSA-N 447.948 4.826 10 10 IJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 2313558714 ICKYQAMAVWMTTP-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1Cc1cccc(C(F)(F)F)c1 2323889961 NXRINSWHRSCKJH-UHFFFAOYSA-N 437.464 4.878 10 10 IJCE COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 38159769 JODRDKBCLDAVRH-AQTBWJFISA-N 439.427 4.614 10 10 IJCE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1 54620988 VYJHQDCSLGEFQF-QFIPXVFZSA-N 446.459 4.617 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526149737 ALVZCDGVAPFRNB-XMMPIXPASA-N 448.494 4.966 10 10 IJCE CCN(CC)CCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858588983 CIQIRDUVXBMGRI-XNTDXEJSSA-N 431.396 4.521 10 10 IJCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 1858594049 JELQHMUZHSJTOQ-YFQSIASUSA-N 439.562 4.633 10 10 IJCE CCOc1ncc(CCC(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cn1 1866260383 LPSPVKHJIUGROH-UHFFFAOYSA-N 439.537 4.579 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(C(C)C)C2=O)cc1 1873423280 AWQILFGBNIPYSW-UHFFFAOYSA-N 444.491 4.603 10 10 IJCE C[C@H](NCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(N(C)C)cc1 1960162674 ILGMQTLPNFDNOO-IBGZPJMESA-N 429.564 4.942 10 10 IJCE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985101130 OELOOPCVHXHPMQ-QQMNAOGKSA-N 447.539 4.851 10 10 IJCE CN(CCN(CCCC(=O)Nc1ccc(N)cc1)Cc1ccccc1)Cc1ccccc1 2034741848 QTCFCEXXODADTH-UHFFFAOYSA-N 430.596 4.622 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1ccc(Br)s1 2106756952 LGJIWKKZLCUUPN-HNNXBMFYSA-N 440.407 4.672 10 10 IJCE C[C@H](N)c1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145262754 WTKDBSUPOAEKSZ-UCNVEGJOSA-N 428.418 4.960 10 10 IJCE C[C@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2152787880 AWUAHBAGRSZGCX-INIZCTEOSA-N 438.360 4.816 10 10 IJCE CCC(CC)(CNCc1c(Br)ccc(OC)c1O)N(C)Cc1ccccc1 2236054406 ICVKOVKTEBBRHB-UHFFFAOYSA-N 435.406 4.944 10 10 IJCE C[C@@H](c1ccccc1O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911052 NPMLMWBLADSYRG-SFHVURJKSA-N 444.531 4.840 10 10 IJCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C(C)=O)cc2)c2ccccn2)cc1 54120907 AFAKOQSUPLKGHC-VWLOTQADSA-N 447.579 4.577 10 10 IJCE CCN1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1cc(Br)ccc1O)N2 65298089 RGKXEYCJQYVAHQ-OAQYLSRUSA-N 442.401 4.799 10 10 IJCE biogenic C[C@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N(C)C)cc1 773619064 QQADECQUDGKLEW-NYHFZMIOSA-N 440.975 4.625 10 10 IJCE CCc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344758 DTUNURPZHHYDLX-UHFFFAOYSA-N 448.526 4.775 10 10 IJCE COC(=O)c1c(NC(=O)c2cnc(C)cn2)sc(C)c1-c1ccc(Br)cc1 1866000602 DHASYLZQFBFGSZ-UHFFFAOYSA-N 446.326 4.623 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(F)c(F)c4)c3)CC2)cc1 1872851903 SKENYLZEOKZRRR-UHFFFAOYSA-N 438.474 4.515 10 10 IJCE O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179221 UKYDDTYQYJXKKW-UHFFFAOYSA-N 430.510 4.828 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CC(=O)O)cc1Br 1912132128 UZFLLZOQRPISJU-KRWDZBQOSA-N 429.358 4.648 10 10 IJCE CCc1ccc(OCCCOc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)cc1 2297499194 DPOMRCIIFLQDFC-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 2332134600 NRABSZHDIAOKFC-UHFFFAOYSA-N 425.750 4.605 10 10 IJCE Cc1ccc(CNC[C@H]2CCC3(CCC3)N2C(=O)OC(C)(C)C)c(O)c1Br 2381136254 CLKVGOUIHJZTKP-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE O=C(c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21)N1CCOCC1 14473001 WPEGNHQGXCLIEN-ULYRPOKDSA-N 439.899 4.547 10 10 IJCE Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152221 QGBZCOOBGQVJPB-AQTBWJFISA-N 441.534 4.523 10 10 IJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 323372073 DPCIGMYWTVFCOA-PXAMLJHWSA-N 429.358 4.505 10 10 IJCE COc1ccc(NC(=O)C[C@H](C)NCCc2cc(C)n(-c3ccccc3)c2C)c(OC)c1 761570708 FLOOTINTEKJQMH-SFHVURJKSA-N 435.568 4.661 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC(OCc3ccc(Br)cc3)CC2)c1O 1460973803 MSRPUAOQIYUDRC-UHFFFAOYSA-N 436.321 4.678 10 10 IJCE CC(=O)N(Cc1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)C1CC1 1544056990 GRVWTTMDVMQGIJ-UHFFFAOYSA-N 429.520 4.670 10 10 IJCE CC(C)N(C(=O)c1cc2ccccc2oc1=O)c1cccc2c1C(=O)c1ccccc1C2=O 1859889215 WRDRNQPICNLAKI-UHFFFAOYSA-N 437.451 4.624 10 10 IJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)c1 1860086859 LQCTXAFFHXFORW-QGOAFFKASA-N 437.546 4.615 10 10 IJCE CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679575 UMTCYZLSLHASDJ-YBFXNURJSA-N 435.480 4.565 10 10 IJCE CCN[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2044752041 HYXHMTWGCICZHO-ISKFKSNPSA-N 441.616 4.903 10 10 IJCE Oc1c(Br)cccc1Cn1nc(C2CCCC2)cc1I 2070043855 KGTLOGPWIPRZEU-UHFFFAOYSA-N 447.114 4.662 10 10 IJCE C[C@@H](O)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148936877 ZTIHMHXKDAPKAX-YZGWKJHDSA-N 429.402 4.851 10 10 IJCE C[C@@H]1CN(c2ccc(CNC3CCC3)cc2Br)CCN1Cc1ccccc1 2240055067 WRJWQROQPXVMBS-GOSISDBHSA-N 428.418 4.802 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(O)cc1 2296879810 DLLZCQXLKNDELT-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE Cc1ccc(CN[C@@H]2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c(O)c1Br 2381131844 SPIHMRLHPVHXDA-MQSRZLSVSA-N 439.394 4.635 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639563 RSUIRCPPZHVEQY-YDIMBITNSA-N 434.517 4.725 10 10 IJCE O=c1c2ccccc2nc(/C=C\c2cn(Cc3ccccc3)c3ccccc23)n1CCCO 33933478 BUZHOEPRVJYIBA-NXVVXOECSA-N 435.527 4.952 10 10 IJCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(Br)cc1 100208143 IHHGQOUISHSSAZ-CPNJWEJPSA-N 442.309 4.725 10 10 IJCE Cc1ccc(OCCOCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1C 103475965 OEOQYVAQJSSLAP-RCCKNPSSSA-N 443.590 4.609 10 10 IJCE COc1ccc(N2CCCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)cc1 108433733 LOBVSCQQQOMWBX-UHFFFAOYSA-N 427.504 4.856 10 10 IJCE C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccccc32)c2ccccc21 229534431 JEYFBIHYNZVOLM-NNCBWZTOSA-N 427.548 4.948 10 10 IJCE Cc1cc(N)c(O)c([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687755256 UMIXVUKYKWLBHH-AREMUKBSSA-N 446.503 4.511 10 10 IJCE C[C@@H](NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(N(C)C)cc1 705690781 WOIZWQKKIBIESJ-HSZRJFAPSA-N 429.608 4.875 10 10 IJCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(C)c1 727243738 DXEBNEVAVRIPRH-UHFFFAOYSA-N 444.490 4.559 10 10 IJCE Cc1cc(Br)c(O)c(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)c1 781907046 CQAJVEPZVFLBGM-UHFFFAOYSA-N 434.334 4.875 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 1860086802 ILJVTJPXSHAKTR-YBFXNURJSA-N 441.530 4.778 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)CCCCCCCCC(=O)O)N2CCCCC2)cc1 1865980511 DGVXWRDTLMFOKR-HSZRJFAPSA-N 431.621 4.601 10 10 IJCE Cc1cc(Cl)cc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866430838 YYWIZSGMJJNDGE-UHFFFAOYSA-N 442.858 4.518 10 10 IJCE O=C(N[C@]1(c2ccc(Cl)cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952760159 GEQDLSCSLZHPNY-OFVILXPXSA-N 449.890 4.884 10 10 IJCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172877086 KIVUUTFZFMXUFZ-ZBEGNZNMSA-N 443.313 4.631 10 10 IJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1C 2294216980 VRWDCZKJLHNXKU-UHFFFAOYSA-N 447.535 4.681 10 10 IJCE CC(C)(C)c1ccc(C(=O)Oc2cccc(C=C3C(=N)N4C=CSC4=NC3=O)c2)cc1 2297458220 SQDDYLPVGJRYNV-UHFFFAOYSA-N 431.517 4.980 10 10 IJCE CCCOc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2321687271 UUDPZKKSAUWJKZ-UHFFFAOYSA-N 445.562 4.907 10 10 IJCE COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1 6172114 SLKVWHCVHVPJEC-ITRAFESCSA-N 426.310 4.883 10 10 IJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2c(O)ccc4ccccc24)[C@H]2CC=C[C@H]32)CC1 14548104 ADJPMOFSTCQLPS-YRTUYQHASA-N 439.559 4.760 10 10 IJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20756436 BXTIYAIIMHBUJP-VIZSFHNOSA-N 439.537 4.596 10 10 IJCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccccc3)C2=O)c1 34792577 LFURPYXEGPXQPH-OQKWZONESA-N 442.471 4.960 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 526227281 RSBSPZJRSUQYDO-JOCHJYFZSA-N 436.533 4.889 10 10 IJCE CNCc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 714993570 SOVLRPXQFITAKG-IFMALSPDSA-N 428.418 4.659 10 10 IJCE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 746424038 AFIZNBUUBYUPOU-SANMLTNESA-N 427.548 4.717 10 10 IJCE CN(C)c1ccc([C@@H](CNC(=O)CCCCCCCCCCN)N2CCCCC2)cc1 1866012927 HYYLIKAYJDXEJG-RUZDIDTESA-N 430.681 4.865 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 2102638554 UUYIOVRCIIRTNY-NHAGDIPZSA-N 445.785 4.543 10 10 IJCE NCc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145261200 JRWHANOIWSFPFG-MOPGFXCFSA-N 432.381 4.538 10 10 IJCE CC(C)(C)OC(=O)NC1(CNCc2cc(Br)ccc2O)CCC(F)(F)CC1 2201457963 MCZOUQWXSVIZMA-UHFFFAOYSA-N 449.336 4.717 10 10 IJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1Cl 2296712304 VPEPHKBCKURXSO-UHFFFAOYSA-N 427.938 4.690 10 10 IJCE COc1ccc(C=C2SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1OC 2313501981 QLBORKRUMFQHOF-UHFFFAOYSA-N 434.970 4.936 10 10 IJCE Cc1ccc(CN[C@@H]2CCC[C@]2(C)CNC(=O)OC(C)(C)C)c(O)c1Br 2352685192 VLODPISQDGHPPN-FOIQADDNSA-N 427.383 4.636 10 10 IJCE COc1cc(CN(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)c(Br)cn1 2362181221 ZRYARKVOHKCRRQ-UHFFFAOYSA-N 436.350 4.514 10 10 IJCE Nc1ccc(CCCOCc2ccc(I)c(Br)c2)cc1 2377605411 CXISMQMQQYRNHL-UHFFFAOYSA-N 446.126 4.785 10 10 IJCE COc1cc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641837 GUNDFKAFJXMUNN-AXHZCLLHSA-N 434.536 4.775 10 10 IJCE Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1C1CC1 33447124 JXBVCJCQLHWCLT-LICLKQGHSA-N 444.354 4.874 10 10 IJCE CCCCCOc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1OCC 40942115 FUOIWRCPZRDQOJ-UVTDQMKNSA-N 430.389 4.906 10 10 IJCE COc1ccc(N2CCC(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)CC2)cc1 110352571 VZYJBGPSHXRTFX-UHFFFAOYSA-N 435.572 4.543 10 10 IJCE Oc1c(Br)cc(Br)cc1[C@@H](CCC(F)(F)F)N1CCOCC1 575304436 DVURFOHGKAOGFU-GFCCVEGCSA-N 447.089 4.633 10 10 IJCE COc1ccc(N2CCN(c3nc(C)c(-c4ccc(C(C)(C)C)cc4)c(O)n3)CC2)cc1 1858507209 QRFCVBMLOBYPBS-UHFFFAOYSA-N 432.568 4.790 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)cc(Br)c1O 1865666115 DNTDBRBFFLDGIA-VGOFMYFVSA-N 435.705 4.618 10 10 IJCE O=C1/C(=C\c2cc(Br)ccc2O)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 1865672175 OIMFOHUGRKWULM-ZSOIEALJSA-N 443.194 4.638 10 10 IJCE Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871286960 CXJAYGUVECDBQP-UDWIEESQSA-N 440.590 4.870 10 10 IJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nccnc1-c1nc2ccccc2s1 1891723359 PQOGSJXXLWHAOT-HKUYNNGSSA-N 441.560 4.672 10 10 IJCE CC1(C)C[C@H](CNCc2cc(Cl)cc(Br)c2O)N(C(=O)OC(C)(C)C)C1 1965975333 NVRQLXRGFXUBTB-CQSZACIVSA-N 447.801 4.933 10 10 IJCE CN[C@H](c1ccccc1O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434066 XDICLMGGYKMWSB-IEBWSBKVSA-N 435.362 4.551 10 10 IJCE COc1ccc([C@@H](C)Nc2ccc(Br)cc2I)c(O)c1 2240323464 POTMGFNEQDVMAL-SECBINFHSA-N 448.098 4.941 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2ccc(Br)cc2O)CC1 2277875249 GJZRGPBIWXXOOB-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE FC(F)(F)c1ccc(Cl)c(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 2330196830 HGXXKLAGWYMMPQ-UHFFFAOYSA-N 426.826 4.904 10 10 IJCE Cc1cc(I)ccc1NCc1ccc(C)c(Br)c1O 2352942734 JTFBDJAYPPZMHL-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 33323154 DIYZMIOWCWMXKP-XSFVSMFZSA-N 428.579 4.956 10 10 IJCE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)o1 33414382 MSZRNZDENGVCHQ-UYRXBGFRSA-N 444.443 4.857 10 10 IJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 526624659 LTVAFKXKEYTOGR-HSZRJFAPSA-N 448.544 4.587 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705959399 YEUWLPBNDKYNSC-UIFIKXQLSA-N 428.418 4.688 10 10 IJCE CC[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 709439196 SNJUKWSERWKQCU-JXSMBQFASA-N 439.394 4.983 10 10 IJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-n2ncc3ccccc32)cc1Cl 766589635 JUOMKYCBILFLSR-UHFFFAOYSA-N 432.911 4.768 10 10 IJCE C/C(=C\c1ccccc1C(F)(F)F)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 1461761114 WFXAYWIENFBHOC-SAPNQHFASA-N 431.502 4.600 10 10 IJCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccccc1Br 1860074812 OWXTXXUCZHXLFG-YRNVUSSQSA-N 427.326 4.825 10 10 IJCE O=C(Nc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866045194 FMKJYZWYQCGGSO-UHFFFAOYSA-N 446.462 4.967 10 10 IJCE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1868174656 HXTXPEWELIPMQC-CYBMUJFWSA-N 434.289 4.967 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1c1cc(Cl)cc(Br)c1O 1952537212 JZDLQRDZGFHWIJ-ZANVPECISA-N 434.714 4.581 10 10 IJCE CC1CCC(CNCc2cc(Br)ccc2O)(NC(=O)OC(C)(C)C)CC1 2136786770 SMDPPWBSNBKOCR-UHFFFAOYSA-N 427.383 4.718 10 10 IJCE C[C@H](O)c1ccc(N2CCN(Cc3ccccc3)[C@](C)(C3CC3)C2)c(Br)c1 2151097809 IPBYIIBGOFPYLH-SBUREZEXSA-N 429.402 4.993 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(NCc3cccc(Br)c3O)cc2C1 2234122699 WVACEKUVRLZHNQ-QGZVFWFLSA-N 433.346 4.759 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OC(=O)c1cccs1 2293993200 YFGHOQZKBVHJQP-UHFFFAOYSA-N 439.967 4.850 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2c(C)cccc2C)c1C 2294034699 ZAVWEAZMQWTXCW-JOCHJYFZSA-N 448.563 4.563 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2cc(Br)cc(F)c2O)CC1 2295260814 OIPIGJBETSQCHZ-AWEZNQCLSA-N 445.373 4.811 10 10 IJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1 2297302665 HPPZMIDITUTGMY-UHFFFAOYSA-N 436.352 4.526 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1C 2297499257 LHMXFMCYLDRQHH-UHFFFAOYSA-N 429.563 4.683 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 2297499428 DHYVKSMEGTZJNC-UHFFFAOYSA-N 448.390 4.715 10 10 IJCE CCCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 2297499621 QDIHUJMHXJHFNV-UHFFFAOYSA-N 436.493 4.844 10 10 IJCE 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443.499 4.681 10 10 IJCE CC[C@H](C)N(C(=O)c1cccc(NC(C)=O)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917581 SWHOGOYYJVGJOH-INIZCTEOSA-N 440.499 4.866 10 10 IJCE CC[C@@H](C)NC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870958257 VNLBHCCWWGXTSK-LJQANCHMSA-N 448.567 4.517 10 10 IJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422316 QPQLRLGINYGSJB-UHFFFAOYSA-N 441.531 4.847 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2cccc(Br)c2O)CC1 2093976425 GCQDSIFSYCZLTQ-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1c(Cl)cccc1Cl 2295923786 YHSJWPONUAZVJV-UHFFFAOYSA-N 429.181 4.679 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2297624624 QQAHHKJUAVZHBH-UHFFFAOYSA-N 449.981 4.994 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F 2332141067 GJAMBNJVZZODEZ-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE CCOC(=O)[C@@H]1CCCN(c2cc(NC(C)C)c3c4c(onc24)-c2ccccc2C3=O)C1 9641750 NKLZMZVUKNCPNC-OAHLLOKOSA-N 433.508 4.639 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465574 LCJPYXXTZXYWQZ-YPIYEQTHSA-N 444.984 4.624 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nccs1 15045127 ZYEBKGGRSHWTDA-QINSGFPZSA-N 435.571 4.683 10 10 IJCE Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Cl 20032254 FPZZBLJBIHHNID-YXBAXSDQSA-N 439.924 4.883 10 10 IJCE CC1(C)OC(=O)C(=Cc2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)C(=O)O1 59462329 GPJRJQIRCDLRHO-UHFFFAOYSA-N 436.445 4.514 10 10 IJCE CCN(C)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1 110161380 BQHVHFZIKCQBTH-UHFFFAOYSA-N 441.528 4.643 10 10 IJCE Cc1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc2c(=O)c1C 1615247657 OSDMRQVXNLHYQJ-VRKOAZSQSA-N 434.580 4.510 10 10 IJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)cc2)CC1 1638586908 DVGHRJMKMRYGGO-IZZNHLLZSA-N 447.623 4.581 10 10 IJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873170294 UNXNBJGJKJHABW-UHFFFAOYSA-N 433.939 4.637 10 10 IJCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNCc1cc(Cl)cc(Br)c1O 1965971460 XWMDHRMZZNVDLM-AWEZNQCLSA-N 445.785 4.687 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(Br)cc2O)CC12CCCCC2 2155197193 UQYBYGDLIBNVAL-KRWDZBQOSA-N 439.394 4.957 10 10 IJCE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cccc2nsnc12 2297512351 CIIXHKFXLWYRTQ-UHFFFAOYSA-N 442.342 4.789 10 10 IJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1C1CCCCC1 2313513905 IGORIFZSJFHBFR-UHFFFAOYSA-N 429.348 4.825 10 10 IJCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)OC1CCCCC1 2314739950 CHEGEKSKVXXCLI-UHFFFAOYSA-N 440.384 4.526 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc(Br)c1O 2332107066 KHHMQWUWIRHSGM-UHFFFAOYSA-N 435.705 4.618 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cc(OC)ccc2OC)cc1 2332114673 DGRFDCWWABDNOY-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641537 NQDOOTYJVPMQTJ-JXQFQVJHSA-N 425.525 4.954 10 10 IJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2cc(C)on2)C1=O 33330794 QIOSKJMSVOPQMK-AMHNRXTASA-N 427.551 4.549 10 10 IJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 38642702 DJGXCATUXUQYDA-NSHGMRRFSA-N 425.400 4.851 10 10 IJCE Cc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 59109480 SDGIBVNTRWIOHG-MTJSOVHGSA-N 444.447 4.505 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 210939441 KINPWKFLKCLLQL-VCRXTVNUSA-N 443.546 4.511 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)c1 526559812 IEZYIRKHJUPXTN-QFIPXVFZSA-N 439.414 4.832 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)c1 526614260 QOVLWMZHDWQELN-XMMPIXPASA-N 445.471 4.756 10 10 IJCE COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c2ncccc12 783481797 FAMDJYPFBDRPBR-QGZVFWFLSA-N 440.503 4.559 10 10 IJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 1084381732 SELFYUHXLNONLX-JAIQZWGSSA-N 437.858 4.553 10 10 IJCE COc1ccccc1-c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(O)n1 1149856521 ADZRBAWHEPJLJW-UHFFFAOYSA-N 430.460 4.604 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S 1858596681 YNXRHOQDSQZQBG-GXDHUFHOSA-N 443.063 4.681 10 10 IJCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1859478297 KUIBWMQRLZQXNO-UHFFFAOYSA-N 439.356 4.690 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 1860086028 DYKUEKIJJGBOPA-CPNJWEJPSA-N 443.546 4.676 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1866060594 SVNIGHKHYYDMMA-OAQYLSRUSA-N 441.453 4.608 10 10 IJCE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1 1892027976 GUTPLOOKTWKHHU-UHFFFAOYSA-N 438.578 4.781 10 10 IJCE C[C@@H](N)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280350874 CEORXZFBPBDBHC-LLVKDONJSA-N 445.142 4.710 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(Br)c2O)C(F)(F)CC1 2284560641 VQQXHNUSCKAYNV-HNNXBMFYSA-N 449.336 4.669 10 10 IJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccc(C)cc2C)c1C 2294033948 DWCZXGFAGVCRSU-JOCHJYFZSA-N 448.563 4.563 10 10 IJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314650395 DQEHYUJRUCWREV-QMMMGPOBSA-N 428.318 4.928 10 10 IJCE CCN1N=C(C)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)C1=O 2332133781 ADTBFSSMPZQXAR-UHFFFAOYSA-N 433.291 4.843 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2381141168 VRKYHARCTCBPKZ-HRAATJIYSA-N 439.394 4.732 10 10 IJCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2[C@H]2C=CC[C@@H]21 14545743 ONEHYVRXEXBBEG-ZEMPLXOASA-N 426.582 4.989 10 10 IJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(CCCOc2ccccc2)c2ccccc12 33656310 KLYZHBMMEDAERO-MOHJPFBDSA-N 437.499 4.572 10 10 IJCE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C2=O)c1 34235579 OMSZOJOXUNIEGS-MLPAPPSSSA-N 449.688 4.932 10 10 IJCE CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Br)c(C)c2C)C(=O)N=C1O 59860375 KOUCNODHWCJNBB-RVDMUPIBSA-N 443.297 4.971 10 10 IJCE Cc1cc(C)c(COc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2)cc1C 206829328 ZVXSSMOPZMCCTD-NDENLUEZSA-N 441.574 4.867 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1O 1473843633 IIMBRXINVFVMLJ-AHKZPQOWSA-N 432.539 4.882 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)c1O 1654613767 ZSFHTBCWAGYPQJ-QFIPXVFZSA-N 446.563 4.736 10 10 IJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2Br)cc1C 2080030210 JWYXGDHJFBAXHJ-ZDUSSCGKSA-N 435.240 4.930 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccccc1 2314831582 NVIBJNAYMVSXQO-UHFFFAOYSA-N 426.563 4.793 10 10 IJCE O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1 2321629389 CMISTSYTJIEAPG-UHFFFAOYSA-N 438.299 4.692 10 10 IJCE Cc1ccc(CN[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CCC3)c(O)c1Br 2381130302 WTGMFBGDQGISOR-HRAATJIYSA-N 439.394 4.875 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1CCCc2ccccc21 8769223 MMQPXLLHYIAKLZ-HZQOKBKYSA-N 440.565 4.611 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCc3ccccc32)cc1 21042695 NEJJLVIQOGLGBY-VWLOTQADSA-N 433.983 4.869 10 10 IJCE CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 35315771 QDWDFJBXKYGMSE-KGENOOAVSA-N 436.508 4.855 10 10 IJCE CCOCCOC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 54620843 OTOFBUJJTNYELT-XMMPIXPASA-N 443.503 4.730 10 10 IJCE COCCOc1ncccc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 110818971 MFYAUIMXCBCBKD-UHFFFAOYSA-N 444.329 4.529 10 10 IJCE CCCCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586610169 OYGULLHARINQIX-UHFFFAOYSA-N 441.487 4.636 10 10 IJCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 747851090 DMVSMKSEICLHGQ-UHFFFAOYSA-N 449.362 4.766 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)c1O 1654613765 ZSFHTBCWAGYPQJ-JOCHJYFZSA-N 446.563 4.736 10 10 IJCE CCN(CC)CCCCN1C(=O)/C(=C\c2ccccc2Br)SC1=S 1858595860 KDRPPRVGYMTXER-DTQAZKPQSA-N 427.433 4.772 10 10 IJCE CCCOc1c(/C=C2/C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cccc1OC 1865668489 AKFMRXQZAWEMSP-HEHNFIMWSA-N 443.503 4.722 10 10 IJCE CCCOc1c(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cccc1OC 1865668836 RYWXDIILLFXBCJ-LGMDPLHJSA-N 434.414 4.841 10 10 IJCE CCOC(=O)c1c(NC(=O)CCC(C)=O)sc(C)c1-c1ccc(Br)cc1 1865943801 WGKVBWBIVAEOOR-UHFFFAOYSA-N 438.343 4.970 10 10 IJCE CCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162522 ZHNPQMNVJIHKCK-UHFFFAOYSA-N 445.538 4.555 10 10 IJCE Cc1cc(C=CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)n1-c1ccccc1 2042451805 HOSTXVXLGXYJIQ-HXUWFJFHSA-N 433.596 4.604 10 10 IJCE Cc1ccc(O)c(Cn2nc(C3CCC3)c(I)c2C(F)(F)F)c1 2079023173 OGVHSLNFUQHKSA-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C=O 2079951124 OPZABCPURXRSPZ-GOSISDBHSA-N 438.309 4.575 10 10 IJCE CN1CCC(N(Cc2ccccc2)c2ccc(CNC3CC3)cc2Br)CC1 2152217795 PTBCLWIUVBMZKG-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE C[C@@H](Nc1ccc(Br)cc1I)c1cc(O)ccc1O 2231664300 BWRKPIRDSLRWTH-MRVPVSSYSA-N 434.071 4.638 10 10 IJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 2297347493 AXKCFWSVWCFKLZ-UHFFFAOYSA-N 441.846 4.517 10 10 IJCE Cc1ccc(C)n1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2297365356 KDGSKAJKUHNKGL-UHFFFAOYSA-N 425.491 4.811 10 10 IJCE Cc1ccc(CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Br 2352953197 SRSWTWDZFFPQGF-XNRPHZJLSA-N 427.383 4.587 10 10 IJCE Cn1cnc2cc(NCc3ccc(I)c(Br)c3)ccc21 2377309889 CVJLBSXVKNQAIL-UHFFFAOYSA-N 442.098 4.553 10 10 IJCE CNCc1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c(Br)c1 705668262 KDWJPNVTTGMMIQ-ZRZAMGCNSA-N 428.418 4.517 10 10 IJCE NCc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715010519 SFTACPWWNIGVAV-RBUKOAKNSA-N 432.381 4.538 10 10 IJCE COc1cc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c(OC)cc1Cl 1860084561 UCTNTWOWEIYOIL-FRKPEAEDSA-N 436.898 4.671 10 10 IJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)ccc1O 1865650119 WQTADXJXRXTXDD-PXLXIMEGSA-N 428.488 4.942 10 10 IJCE O=C1/C(=C\c2cc(Br)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1 1865671817 GFUMWAZLMCXUSY-ZHZULCJRSA-N 433.305 4.985 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1C1CC1 1886010887 XOHZYEFGZYSNFF-JKSUJKDBSA-N 445.785 4.686 10 10 IJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1 2041068688 GCVBYAIBQZPMIN-MRXNPFEDSA-N 431.535 4.656 10 10 IJCE Oc1ccc(C(F)(F)F)cc1Cn1ncc(C2CCCC2)c1I 2070248745 DEVWREAWJRLUJH-UHFFFAOYSA-N 436.215 4.918 10 10 IJCE CC1(c2nn(Cc3cc(Cl)ccc3O)c(I)c2C(F)F)CC1 2079769374 TYXNYKDYRHEMRJ-UHFFFAOYSA-N 438.643 4.884 10 10 IJCE Oc1c(Br)cc(Cl)cc1CNC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 2136550213 SAXZGZPTGFJIIQ-UTKZUKDTSA-N 435.793 4.810 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151263246 UHWSDXMZYVRTTN-BWTSREIZSA-N 432.381 4.679 10 10 IJCE C[C@@H](O)c1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2152790271 NUZOZNIOJNQJAR-MRXNPFEDSA-N 439.344 4.850 10 10 IJCE CC(C)(C)OC(=O)N1CCCC12CCC(NCc1cc(Br)ccc1O)CC2 2167903798 VXYQSHWWDLHLHS-UHFFFAOYSA-N 439.394 4.957 10 10 IJCE COc1ccc(Br)c(CNc2ccc(I)cc2C)c1O 2236051389 SCSBUYGQBXYTJX-UHFFFAOYSA-N 448.098 4.688 10 10 IJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2296382124 GVBGJLTXNJHFKR-UHFFFAOYSA-N 432.863 4.585 10 10 IJCE Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)o3)C(=O)N(c3ccccc3)C2=S)cc1C 2297453196 ZXYPTSHRBZGVPJ-UHFFFAOYSA-N 445.544 4.711 10 10 IJCE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1 2313577455 YFHJNZLTWWFIKU-UHFFFAOYSA-N 433.548 4.908 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099693 UYNRZMZFEDTXNH-UHFFFAOYSA-N 442.515 4.856 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1 2332141087 HJQPXWFACIMTJP-UHFFFAOYSA-N 446.478 4.682 10 10 IJCE C[C@@H]1CN(c2ccc(CN[C@@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2F)C[C@@H](C)O1 756422981 PNVWUVNDOMWTCB-OJLQRUNKSA-N 442.966 4.705 10 10 IJCE CC(=O)c1cccc(NC(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1 1167681341 XYKYRANENVGFKD-RMKNXTFCSA-N 442.515 4.819 10 10 IJCE CC(=O)c1ccc(OC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(C)c1 1264944041 DVJXZCRRJAEQLR-UNOMPAQXSA-N 443.521 4.534 10 10 IJCE Cc1cc(C(=O)N2CCCc3ccnc(O)c32)c(C)n1-c1ccccc1Br 1647925218 ZQBCAMIADWQOGE-UHFFFAOYSA-N 426.314 4.550 10 10 IJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671844 QZUOUSYYZTVIPZ-XMHGGMMESA-N 446.890 4.954 10 10 IJCE CCCC[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866019610 TVYQTWNWGMSDRU-AWEZNQCLSA-N 439.375 4.729 10 10 IJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCC2)C1=O 1873165526 MRTGOKPFJPLZSX-UHFFFAOYSA-N 449.595 4.523 10 10 IJCE CCN(CC)c1ccc([C@H](O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2044730249 MLLOORBIVOKSLC-RPWUZVMVSA-N 441.616 4.592 10 10 IJCE CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1Br 2080005832 NNKFXVIDMXMFOA-IBGZPJMESA-N 449.345 4.803 10 10 IJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cc(Br)cs1 2106758525 YSZHPOWYGZMFOI-MRXNPFEDSA-N 440.407 4.672 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(Br)cc(F)c2O)C1(C)C 2138969252 CVLJMLKSFWWQMY-HNNXBMFYSA-N 431.346 4.562 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2ccc(Br)cc2O)CC1 2277875250 GJZRGPBIWXXOOB-OAHLLOKOSA-N 427.383 4.672 10 10 IJCE Cc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)c1 2297345184 AFPFXSXLNQOUKR-UHFFFAOYSA-N 444.534 4.582 10 10 IJCE COc1cc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)c(OC)cc1Cl 2321629421 ICIALHRQVAZCSA-UHFFFAOYSA-N 436.898 4.671 10 10 IJCE C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccncc3)S2)C1 33808789 MNDGJGRTRLPDKC-AQRZYSDFSA-N 429.549 4.637 10 10 IJCE CCCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC 109181173 FYZRAEDAIKVNSK-NBSXQYNISA-N 438.568 4.601 10 10 IJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1O 687738366 KTOJHOBFUQSBAC-HXUWFJFHSA-N 439.414 4.725 10 10 IJCE CC(=O)c1cc(Cl)cc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c1O 1460137374 MQYIJBWRYSIUEU-UHFFFAOYSA-N 426.315 4.922 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1OC 1858589626 BVIJVMOJRYQTFH-KGENOOAVSA-N 443.590 4.935 10 10 IJCE CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 1915163252 MIXYXZIRWXWUCU-SANMLTNESA-N 439.600 4.730 10 10 IJCE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(N)c2I)c(O)c1 2079005748 PDLWZJUEDGQMNC-QGZVFWFLSA-N 425.314 4.597 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNCc3cc(Cl)cc(Br)c3O)C[C@H]21 2140715904 BKVPEGDZUBWZDG-DJSGYFEHSA-N 445.785 4.543 10 10 IJCE CC[C@H](N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc(Br)ccc1O 2149391941 FESANIPBKCGJLH-XDKFSHSGSA-N 439.394 4.841 10 10 IJCE CC[C@H](NC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2157528772 MLCGAEZOSOOQKA-OXJNMPFZSA-N 445.373 4.935 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@@]2(CNCc3cccc(Br)c3O)CCC[C@@H]12 2165310661 PWGGZKATDHCAMV-DYESRHJHSA-N 439.394 4.814 10 10 IJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1nc2ccccc2s1 2296885087 BJCOJVZJUNBECC-UHFFFAOYSA-N 429.548 4.509 10 10 IJCE CCCCCCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2296934876 FNOCGGIRNSXCET-UHFFFAOYSA-N 427.932 4.790 10 10 IJCE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 2297349401 DMPPYHJEYJCRNM-UHFFFAOYSA-N 437.945 4.906 10 10 IJCE O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639567 RSUIRCPPZHVEQY-KHCICDEESA-N 434.517 4.725 10 10 IJCE COc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1OC 1860086331 ZDIHOLSBXWHFJA-XMHGGMMESA-N 426.563 4.710 10 10 IJCE COC(=O)c1c(NC(=O)CCCCC(=O)N2CCCC2)sc(C)c1-c1ccccc1 1866190329 UMIROWJYOJGZIQ-UHFFFAOYSA-N 428.554 4.631 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1 1951650849 NLGALBQOVWNDHT-NRFANRHFSA-N 433.460 4.542 10 10 IJCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1999536775 OODSLHVUVUTRAY-OFAXGOBFSA-N 427.589 4.512 10 10 IJCE C[C@@]1(C2CC2)CN(c2cc(Br)c(CN)cc2F)CCN1Cc1ccccc1 2151077655 BQCBTPMXYOVHDD-QFIPXVFZSA-N 432.381 4.538 10 10 IJCE CC[C@@H](N[C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2271270865 KLULFBJSINEXEC-XKQJLSEDSA-N 427.383 4.983 10 10 IJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 2293299453 KRPRMXMMTKUTDS-UHFFFAOYSA-N 444.940 4.733 10 10 IJCE CC1(C)C[C@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297731481 TVYCOVKBPPMACC-HSZRJFAPSA-N 438.549 4.520 10 10 IJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)N(C)C)cc1 2323879985 BYTIWOOODACAPY-QGZVFWFLSA-N 448.997 4.558 10 10 IJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F 2332141466 YFWNXSXCZKLSKW-UHFFFAOYSA-N 440.805 4.714 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638794 UOSMDAFBLHQGFX-UWVAXJGDSA-N 433.371 4.526 10 10 IJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)c1 15045808 QEMOCIDZBLCVDF-HJPCULJESA-N 432.954 4.582 10 10 IJCE Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1 737881890 IBRJNFOEUAVLNV-IBGZPJMESA-N 443.345 4.915 10 10 IJCE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c(C)n1-c1ccc(C(C)C)cc1 1631924924 OINATVMCXOUKTM-QHCPKHFHSA-N 443.551 4.755 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCCC3)C2=O)cc1 1858586836 WATSXNZYQIQXOA-HMMYKYKNSA-N 446.638 4.858 10 10 IJCE COc1ccc(N2CCN(C(=O)C[C@H](Cn3cccc3)c3ccc(Cl)cc3)CC2)cc1 1860178828 METSLBZSJPMKOV-OAQYLSRUSA-N 437.971 4.673 10 10 IJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1 1865678193 YVPQBODACPGZQJ-UNOMPAQXSA-N 433.851 4.784 10 10 IJCE CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)N2CCCCC2)cc1 1866055591 YIGJORWATYOJAX-FIXSFTCYSA-N 426.004 4.853 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(C(C)C)C2=O)cc1 1873164859 WFHAKAZJZOMFMH-UHFFFAOYSA-N 431.511 4.511 10 10 IJCE O=C(N[C@]1(c2cccc(Cl)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952766943 YPOJLMSCMBWLAL-NLFFAJNJSA-N 449.890 4.884 10 10 IJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2313510851 ZQNSWVGOQMGGMY-UHFFFAOYSA-N 433.247 4.779 10 10 IJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560474 UXDVJFJBGZIOJS-UHFFFAOYSA-N 427.504 4.665 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc(OC)c1O 2332147515 IOFNMBZWWAFGCI-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 33373211 ZFHSIWTXKGLEKW-XMHGGMMESA-N 426.563 4.575 10 10 IJCE C[C@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705900334 GZZSQULNXNGPMO-PDIWNELESA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1cc(Cl)cc(Br)c1O)C2 708204233 LFMOFZDSUMHOOE-XZJROXQQSA-N 445.785 4.686 10 10 IJCE CC(C)(C)OC(=O)N1CCC2(CCC(NCc3ccc(Br)cc3O)CC2)C1 1254872939 FDDCDGRPVDOMKO-UHFFFAOYSA-N 439.394 4.814 10 10 IJCE C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1618254180 YCPZDRORPNONCH-QYRZDNMNSA-N 441.547 4.677 10 10 IJCE COc1ccc(CCN2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)cc1 1858587055 ZWEXINFNFIUNBG-CIAFOILYSA-N 438.574 4.639 10 10 IJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079032938 MDOKSTADQALFEP-INIZCTEOSA-N 442.341 4.537 10 10 IJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C1(C)CC1 2079595496 JLAJTTWXOGWTHG-UHFFFAOYSA-N 436.215 4.620 10 10 IJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1 2079858526 RDPFBMMDZKGZAD-CQSZACIVSA-N 435.240 4.827 10 10 IJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079993916 ZFCMMWOJXCZNPH-QGZVFWFLSA-N 437.334 4.659 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C2(CC2)C1 2129396807 OTMMKLIGAADOSH-HNNXBMFYSA-N 445.785 4.687 10 10 IJCE C[C@@H](O)c1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145251799 COSBOMVJDHKPHN-HFJQGTKSSA-N 429.402 4.993 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2149552444 SFIBHAVTQDZCGD-UHFFFAOYSA-N 438.360 4.516 10 10 IJCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2149553696 BIVPAGPNPYIXAF-UHFFFAOYSA-N 438.360 4.516 10 10 IJCE CN[C@H](C)c1ccc(N2CCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 2149560656 CPFGOLIRLZDPPQ-MRXNPFEDSA-N 438.360 4.687 10 10 IJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(O)cc1 15035935 YFTRUWLBUASASI-STZFKDTASA-N 446.553 4.899 10 10 IJCE CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(OC)c(Br)c2)C1=O 33619222 CVGKGUHREDMDNU-GXDHUFHOSA-N 429.270 4.527 10 10 IJCE CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccccc3Br)cc2)SC1=S 34112106 NAVADQLHDXFGAR-GDNBJRDFSA-N 433.352 4.532 10 10 IJCE CCCOC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 40938190 HEXYFBMDUFTKAZ-HKWRFOASSA-N 441.574 4.810 10 10 IJCE CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226794916 NQDOOTYJVPMQTJ-YDIMBITNSA-N 425.525 4.954 10 10 IJCE C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)CCN1Cc1ccccc1 382590967 ACVQPMNPJJBVQM-SYJIQKIWSA-N 429.358 4.648 10 10 IJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526445602 IBXRLHZNTRSXMF-XMMPIXPASA-N 447.487 4.871 10 10 IJCE CC[C@H](C)NC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586609308 MJIALYXRYDYVMH-HNNXBMFYSA-N 441.487 4.634 10 10 IJCE Cc1ccc(I)cc1NCc1cc(Br)cc(F)c1O 715737373 MGHWIYLHXJJUMG-UHFFFAOYSA-N 436.062 4.819 10 10 IJCE CC(=O)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC(C)C 1537459085 ZDBMMMIFERSHSR-UHFFFAOYSA-N 446.494 4.677 10 10 IJCE COc1ccc(OCCN2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1 1858587281 SRSBYTNJPBVDJE-XSFVSMFZSA-N 429.563 4.763 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(OC)c(O)c2)cc1 1865664416 OXGNVHFHCWJEQX-OEAKJJBVSA-N 442.515 4.856 10 10 IJCE COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865923072 IXSYZLBOJMEUFX-SFHVURJKSA-N 449.938 4.513 10 10 IJCE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1ccccc1O 1984692442 NYFVFDMRTFJNCD-QZTJIDSGSA-N 444.531 4.839 10 10 IJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1Br 2079060233 FNWHCEPLINHSQN-OAHLLOKOSA-N 429.261 4.773 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2Br)cc1C 2080000007 NUSANZWAFUGKHC-LJQANCHMSA-N 432.362 4.724 10 10 IJCE CC[C@H](N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1cc(Br)ccc1O 2158895724 SIXZHKUEJASOAF-MMNPAVHPSA-N 439.394 4.841 10 10 IJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2297358280 IOLYJFNFNHKAIH-UHFFFAOYSA-N 446.890 4.581 10 10 IJCE CC(=O)Oc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2297366846 SNCQXVLYGIRYJD-UHFFFAOYSA-N 434.336 4.780 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNCc1cc(Br)ccc1O 2358979428 NGLREDKWUOZWSY-QGTPRVQTSA-N 439.394 4.813 10 10 IJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479347 NFDBSVQXVILCGU-BSRJHKFKSA-N 442.581 4.607 10 10 IJCE N=C1/C(=C/c2ccc(OCCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 20032269 FXQQJQBBMORCFJ-YHBINRDGSA-N 439.924 4.965 10 10 IJCE CCN1C(=O)/C(=C/c2ccc(OCCOCCOc3cccc(C)c3)cc2)SC1=S 33414403 LAXQWIJDNISQSO-PGMHBOJBSA-N 443.590 4.691 10 10 IJCE Cc1ccccc1-n1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cn1 33448408 BTHKYPWXDCXZMP-RQZCQDPDSA-N 440.381 4.706 10 10 IJCE Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1 47152219 DBMSCZSNBNBTIG-AQTBWJFISA-N 441.534 4.523 10 10 IJCE COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2)cc1 109832869 ZLURLYUQPAYURG-UHFFFAOYSA-N 428.964 4.693 10 10 IJCE Cc1nccn1Cc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 110833415 HKNLQKMLXWSDQJ-UHFFFAOYSA-N 442.519 4.671 10 10 IJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2ccc(F)cc2s1 208740082 AQPGEMQWMDYZGR-NTEUORMPSA-N 449.579 4.727 10 10 IJCE CC[C@@H](NCC12CC(CN1C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 701911975 XFWZLXRIFMDJMH-WGAFOPHPSA-N 425.367 4.595 10 10 IJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1ccc(I)c(Br)c1 706947497 VFAGVSLUBYRSKO-UHFFFAOYSA-N 446.082 4.728 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc(I)cc2)c1O 1616879568 DOKKFEZOKWDGOY-GOSISDBHSA-N 439.268 4.676 10 10 IJCE C/C(=C\c1ccccc1)CN(C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1642708723 WZOSAMVREPTWDL-WNZNBFKUSA-N 438.527 4.824 10 10 IJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OC(C)C 1865672158 NRMGYAHGVNTYAJ-YVLHZVERSA-N 436.405 4.966 10 10 IJCE COC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc(C)c1-c1ccc(C)c(C)c1 1865873987 PFFMIMZBSMCBOP-LJQANCHMSA-N 437.517 4.905 10 10 IJCE COc1ccc(-c2cccc(S(=O)(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)c2)cc1 1892071549 VGMJOPBOHCDHGZ-RDPSFJRHSA-N 448.588 4.829 10 10 IJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cccc1F 1952824942 XAZHXXVYGRUOBY-YADARESESA-N 447.462 4.928 10 10 IJCE COc1cccc(O)c1[C@@H](C)n1ncc(C2CCCCC2)c1I 2070204652 ADRPZVJLAGBNCM-GFCCVEGCSA-N 426.298 4.859 10 10 IJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Br 2079048861 XPLQSJCCVWEFAO-OAHLLOKOSA-N 429.261 4.773 10 10 IJCE CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1)c1cc(Br)ccc1O 2137702391 QOPZLVHCPIYWQQ-DLBZAZTESA-N 427.383 4.889 10 10 IJCE CCCN[C@@H](C)c1ccc(N(CC(=O)N(C)C)Cc2ccccc2)cc1Br 2152241703 WRUBDHBZHVRQJP-KRWDZBQOSA-N 432.406 4.605 10 10 IJCE CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S 2294229464 WSMXKTXSMBTCDC-UHFFFAOYSA-N 443.572 4.796 10 10 IJCE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)ccc1O 2321681367 WLZVZRKPHQQRGK-UHFFFAOYSA-N 425.409 4.515 10 10 IJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 9259602 LIDHUXHHTQLROB-ZHZULCJRSA-N 438.911 4.714 10 10 IJCE COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1Cl 20037474 AGAQJBASUHDLHW-HSDIOQNSSA-N 442.928 4.542 10 10 IJCE O=C(NN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S)c1cccc(Cl)c1 40940094 YUDSNYSQSHCKFK-RIYZIHGNSA-N 427.309 4.679 10 10 IJCE CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(F)cc3)N2)c1O 53363294 QYSZBVSKCOYGSY-NLFFAJNJSA-N 434.467 4.881 10 10 IJCE CCOc1ccc(C2=NC3(CCN(CC)CC3)N[C@H](c3cccc(OCC)c3O)C2)cc1 65298388 KUQMXYRAPWOZGB-QHCPKHFHSA-N 437.584 4.525 10 10 IJCE biogenic C/C(=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1C(F)(F)F 743314898 UGEOWNHXVHMQNP-NTCAYCPXSA-N 436.449 4.525 10 10 IJCE O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1ccccc1[N+](=O)[O-] 1084029955 JYADOJJFUXFICM-YRNVUSSQSA-N 427.326 4.825 10 10 IJCE O=C1/C(=C\c2ccc(OC(F)(F)F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 1084348316 DECZUVPPQAGHEX-NTEUORMPSA-N 426.397 4.899 10 10 IJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 1860825066 LLAQCKNJKRQKJP-DEDYPNTBSA-N 440.590 4.628 10 10 IJCE CCCOc1c(Br)cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)cc1OC 1865667598 GAXLYJVOIFMQDJ-WJDWOHSUSA-N 429.314 4.506 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1ccccc1O 1984690683 NYFVFDMRTFJNCD-ROUUACIJSA-N 444.531 4.839 10 10 IJCE CN(CC[C@@H](NCc1c(O)cccc1Br)C(C)(C)C)C(=O)OC(C)(C)C 2278583158 IZRYVRBFPDVFSQ-QGZVFWFLSA-N 429.399 4.916 10 10 IJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 2297470530 ZGQYMIAYRNCCPL-UHFFFAOYSA-N 427.530 4.563 10 10 IJCE O=C1C(=Cc2ccc(O)c(O)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 2332094460 IDQHBTKEQBIQHH-UHFFFAOYSA-N 431.197 4.749 10 10 IJCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 2332139335 VLNVIYRSGZCTEJ-UHFFFAOYSA-N 443.588 4.514 10 10 IJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639993 OQJKXQBPKCVLBP-XLNZFTOWSA-N 442.581 4.735 10 10 IJCE CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14476180 JMHCKZSHYMVIMQ-KHCICDEESA-N 433.508 4.999 10 10 IJCE COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3O)c2C)cc1 33710332 MZRDGNYSULUQCD-HMAPJEAMSA-N 429.476 4.605 10 10 IJCE COc1ccc(/C=C2\SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1OC 59371000 KMZPFFMYJBJAMW-NVMNQCDNSA-N 434.970 4.936 10 10 IJCE CC[C@H](N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 311299808 DZDSFELHFJNCDS-COXVUDFISA-N 427.383 4.889 10 10 IJCE Oc1cccc2c1[C@@H](Nc1cc(Br)ccc1I)CC2 389115679 MBTSHBZSYPTTLD-LBPRGKRZSA-N 430.083 4.859 10 10 IJCE C[C@@H](O)c1ccc(N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br 705900336 GZZSQULNXNGPMO-VSDWSMLSSA-N 429.402 4.851 10 10 IJCE CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1683303096 JPZZSTDQCDYCFF-UHFFFAOYSA-N 443.551 4.783 10 10 IJCE CC(C)CCOc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858854125 QHVBPTARFAWQSL-UHFFFAOYSA-N 429.476 4.926 10 10 IJCE CCCC(=O)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 1860646792 RHJZBSJDXZXUOF-GOSISDBHSA-N 442.581 4.877 10 10 IJCE CCN(C(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC)c1ccccc1 1860749216 YJXRDHWAXJEZOK-UHFFFAOYSA-N 436.533 4.810 10 10 IJCE COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)CC1=O 1865923070 IXSYZLBOJMEUFX-GOSISDBHSA-N 449.938 4.513 10 10 IJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1O 1951665754 IPPHBZKEWIUQJX-FQEVSTJZSA-N 433.460 4.542 10 10 IJCE Cc1ccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c(O)c1 2079698684 UKVAOUCEPLWHBD-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE CC1(C)C[C@@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O 2087928395 TVYCOVKBPPMACC-BZNBOCDVSA-N 438.549 4.520 10 10 IJCE CC[C@H](N[C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2098557111 NLTVZDFIXLWOHF-CPUCHLNUSA-N 427.383 4.841 10 10 IJCE CN[C@@H](C)c1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(Br)c1 2234716287 UHDLOKJTPGGXSJ-DZFGPLHGSA-N 428.418 4.973 10 10 IJCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc(CNC3CCC3)cc2Br)C1 2240022834 AZBQKQYMTRUDQU-OAQYLSRUSA-N 428.418 4.802 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2ccc(I)cc2)cc1Br 2280336854 JSNZZNCOQXXUDW-LLVKDONJSA-N 446.126 4.743 10 10 IJCE COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cccc(Br)c1 2294082216 SLKVWHCVHVPJEC-CQSZACIVSA-N 426.310 4.883 10 10 IJCE COc1ccc(CCN2C(=O)C(=Cc3ccc4cc(OC)ccc4n3)SC2=S)cc1 2296598284 VWRYRRAQPQYVIE-UHFFFAOYSA-N 436.558 4.696 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1C 2297335420 WSOJCTOUWHTXTQ-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CCc1ccc(OCCOc2c(C=C3SC(=S)N(CC)C3=O)cccc2OC)cc1 2297500153 NNNLZADTFZMWEY-UHFFFAOYSA-N 443.590 4.937 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 2321647295 IZCOBYJPSMIUCX-UHFFFAOYSA-N 442.606 4.951 10 10 IJCE CN1CCN(c2ccc(N3C(=O)C(=Cc4cccc5ccccc45)SC3=S)cc2)CC1 2321684687 KCBOQPUBQUAILT-UHFFFAOYSA-N 445.613 4.997 10 10 IJCE CCOc1ccc(N(C)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 9409380 YUCTZZPLEIUEDM-HSZRJFAPSA-N 444.984 4.895 10 10 IJCE CCCOc1ccccc1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33447883 VXZVFVAPWRCTNE-RCCKNPSSSA-N 443.590 4.937 10 10 IJCE O=C(O)[C@H](c1ccccc1O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 227190801 SNMSGWVMNHOTFV-DEOSSOPVSA-N 429.472 4.931 10 10 IJCE COc1ccc(OC)c(/C=C2\SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)c1 1084329069 COPDZYFDHOOLHT-NVMNQCDNSA-N 434.970 4.936 10 10 IJCE C=CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C(C)C)C1CC1 1705851511 JHTUHNUKFSNCIJ-AREMUKBSSA-N 433.600 4.914 10 10 IJCE Cc1cc(C(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1N(C)C 1859889303 CROZEYHGONWJRE-UHFFFAOYSA-N 426.516 4.892 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cccc([N+](=O)[O-])c2)cc1 1865677226 YJDJHDWTKKVLRQ-HZHRSRAPSA-N 427.460 4.742 10 10 IJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287583 QPXVGJBXISUGHR-CPNJWEJPSA-N 434.627 4.571 10 10 IJCE CC(C)(C)OC(=O)NC1CC(CCNCc2cc(Cl)cc(Br)c2O)C1 1965998150 IXOHNGBLZHEBFY-UHFFFAOYSA-N 433.774 4.591 10 10 IJCE CSc1ncc(CNc2cc(Br)c(Br)cc2[N+](=O)[O-])s1 2284634547 CZYAAIBWUNROQF-UHFFFAOYSA-N 439.154 4.910 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O)C(=O)O 2314932920 PXIWEGPFOZGBQH-HNNXBMFYSA-N 433.938 4.988 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1 2321719998 CGOHDHIBGBHMFV-UHFFFAOYSA-N 440.590 4.721 10 10 IJCE Cc1ccc(CNCC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Br 2352694653 WLUVIILNIZLMNV-HOCLYGCPSA-N 427.383 4.636 10 10 IJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)cc2)SC1=S 33340433 UZSINCNIRZEOGN-MZZBYLLYSA-N 425.531 4.535 10 10 IJCE CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 33447905 DPHIHZHGFLQFOF-ITRAFESCSA-N 427.547 4.914 10 10 IJCE CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)NC1=S 33674058 YROIUGWQMYQTMK-LDADJPATSA-N 445.382 4.804 10 10 IJCE CNCc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312497031 KWQWKHYBEDWMBE-UHFFFAOYSA-N 428.418 4.661 10 10 IJCE CN(C)c1ccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 686851852 BCCJAVFMPNVNSQ-MHZLTWQESA-N 444.531 4.981 10 10 IJCE Oc1ccccc1CN(Cc1nc(O)c2c(-c3ccco3)csc2n1)C[C@H]1CCCO1 756335454 IKDCNVZZSZJZJM-MRXNPFEDSA-N 437.521 4.544 10 10 IJCE Cc1cc(CCNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)c(C)n1-c1ccccc1 768936747 NPEWDRHSHUGBKT-UHFFFAOYSA-N 444.560 4.515 10 10 IJCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1cc(Br)ccc1O)C2 1257629994 LAQXXBDYBZTKDW-IRXDYDNUSA-N 425.367 4.565 10 10 IJCE Brc1cc(Br)cc(NCc2ccc(N3CCOCC3)cc2)c1 1651377197 RXTIZQOAKYUZCG-UHFFFAOYSA-N 426.152 4.660 10 10 IJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858594081 KNLOIUQVMBUDIR-LQOIVRHRSA-N 442.606 4.598 10 10 IJCE CCOc1ccc(CC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1 1859891798 LYHGHACGNJLODK-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE COc1cc(Cl)c(C)cc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1873965343 JVNKJHPOTDWFQA-UHFFFAOYSA-N 444.874 4.937 10 10 IJCE Cc1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c(O)c1 1952759038 ALDBQXHHODOKDW-NVQXNPDNSA-N 429.472 4.539 10 10 IJCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2cc(Br)cc(F)c2O)CC1 2133494124 HERPYIHJEMHUTL-HUUCEWRRSA-N 431.346 4.609 10 10 IJCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S 2297708636 AJEWQVBIUIMVOV-UHFFFAOYSA-N 439.345 4.548 10 10 IJCE Oc1c(Br)cccc1CNc1cc(F)c(I)c(F)c1 2341219593 LUXIMFGXCYEMER-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 14465572 LCJPYXXTZXYWQZ-GXJJEBCYSA-N 444.984 4.624 10 10 IJCE CC[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 381869981 QMSXBUOPEIWVSD-PBHICJAKSA-N 427.383 4.843 10 10 IJCE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 791884253 KSDZZUBKYZMAKI-FSFOXSDBSA-N 448.557 4.529 10 10 IJCE C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 1177315255 QLJDDUKHLBDZAN-WJDWOHSUSA-N 435.446 4.643 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1)[C@@H]1C[C@@H]1C 1637350412 WBKQOBKNRBATMP-IVCQMTBJSA-N 429.520 4.920 10 10 IJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 1860085074 KOVOAKUKSQOJJM-LZYBPNLTSA-N 436.898 4.671 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)cc1OC 1860086947 RKEUDDSLXMWWET-YBFXNURJSA-N 443.546 4.675 10 10 IJCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)ccc1OC(=O)c1ccccc1 1865675999 LEXOAWKYOKWMKH-PXLXIMEGSA-N 426.472 4.716 10 10 IJCE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](CO)N=[N+]=[N-] 1951354390 JREZRFAWJUVXFT-SNVBAGLBSA-N 436.104 4.902 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1O 1951664358 AAAZFIPQCHJDNC-JOCHJYFZSA-N 435.451 4.976 10 10 IJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)F)c1I 2079051663 JFGNRJCKKZWIMV-UHFFFAOYSA-N 446.157 4.760 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F 2314828069 QBHYYLPDOXJLCJ-UHFFFAOYSA-N 436.480 4.935 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131884 QICQGUURKMLXDZ-UHFFFAOYSA-N 432.863 4.881 10 10 IJCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(O)c1Br 2352944786 MMGRJRMFBCWXSA-OAHLLOKOSA-N 427.383 4.588 10 10 IJCE Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1 10913097 DXPKDUMCTSPMEN-HHHXNRCGSA-N 438.527 4.798 10 10 IJCE CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)cc1 33467706 BPODIEMZYKITCO-AZDFLESRSA-N 436.558 4.675 10 10 IJCE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 59534682 ZHWPPSDIWQHWOX-DHDCSXOGSA-N 431.231 4.508 10 10 IJCE C[C@](Nc1cccc(Br)c1)(C(N)=O)c1ccc(OCc2ccccc2)cc1 312094034 NNOMUYBROZDTIA-JOCHJYFZSA-N 425.326 4.841 10 10 IJCE CN(C)c1ccc([C@@H](CN)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 698228554 CJSPLPQWJRFYCR-LJQANCHMSA-N 434.378 4.957 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)C12CCCC2 715771856 VIEFIVOAZGCYNX-MRXNPFEDSA-N 443.357 4.706 10 10 IJCE Cc1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c(C)n1-c1ccccc1Br 792677581 XSDBXWLXQJDUAL-SFHVURJKSA-N 429.318 4.684 10 10 IJCE CCOc1ccc(CC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1859889120 NMVHIJLEMNOESY-UHFFFAOYSA-N 427.500 4.845 10 10 IJCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1cc(Cl)cc(Br)c1O 1965955702 ANFQCAQENRCKPS-ABAIWWIYSA-N 433.774 4.543 10 10 IJCE CC[C@H](NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2115805125 ZUQKMIOZWYDNRW-LXZKKBNFSA-N 427.383 4.889 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2226272265 GSPYTEZBRJYEDL-IJEWVQPXSA-N 431.346 4.543 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2cc(Br)ccc2O)CC1 2277879298 ZVBKKHTWRZRGLW-HNNXBMFYSA-N 427.383 4.672 10 10 IJCE CC1=CC2=NC(=O)C(=Cc3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N2O1 2297347580 KFKOJVMDMPOKBX-UHFFFAOYSA-N 426.476 4.561 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCC(C)C 2314768786 OTSWUNXWYMVZGY-UHFFFAOYSA-N 430.389 4.762 10 10 IJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cc(Br)ccc2O)cc1 2332125435 AUVYTPCSOYMCBV-UHFFFAOYSA-N 449.304 4.998 10 10 IJCE CC[C@H](NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2355433138 BETZHWFSXCWYFV-QXRTWZOPSA-N 439.394 4.983 10 10 IJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1C 2977151 XBRLXPUVENCPMH-DEDYPNTBSA-N 429.563 4.601 10 10 IJCE O=C1NC(=S)S/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1 12370129 BTRDSABWLMGZEK-WUXMJOGZSA-N 443.453 4.649 10 10 IJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472995 YMEMSAGTWABUIU-WHSLLNHNSA-N 447.944 4.763 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(OC)cc3)C(O)=NC2=S)cc1 59104498 TTYJEMHNWLFTMQ-QNGOZBTKSA-N 447.516 4.556 10 10 IJCE COc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 206924720 HJSUQLXCESZFAF-MOSHPQCFSA-N 434.542 4.703 10 10 IJCE CN(c1ccc(CNC2CC2)c(Br)c1)C1CCN(Cc2ccccc2)CC1 380750750 NKOMIYPXPIXTDD-UHFFFAOYSA-N 428.418 4.802 10 10 IJCE COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4N)o3)CC2)cc1 953041305 OAZJOBKXFGVGMN-DHZHZOJOSA-N 437.927 4.553 10 10 IJCE Brc1cc(CN2CC[C@@H](OCc3ccccn3)C2)ccc1N1CCCCC1 1665325610 KMNSIVFODYJSNH-HXUWFJFHSA-N 430.390 4.626 10 10 IJCE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705712334 QFHLREDJHBLGLG-UHFFFAOYSA-N 449.599 4.506 10 10 IJCE CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1OCC 1860086683 ALCOXRTXJDJSRG-WOJGMQOQSA-N 430.507 4.798 10 10 IJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC)c3)C2=O)cc1 1860087057 XJLURZLNYCXXMZ-CPNJWEJPSA-N 426.563 4.725 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(O)c(OC)c2)cc1 1865675783 ZTGQTIMRGAYLDK-DEDYPNTBSA-N 448.906 4.893 10 10 IJCE C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1868174657 HXTXPEWELIPMQC-ZDUSSCGKSA-N 434.289 4.967 10 10 IJCE CN(c1ccc(C=CC(=O)O)cc1Br)[C@@H]1CCCN(Cc2ccccc2)C1 1911874634 QFWFNZJEHWIASN-LJQANCHMSA-N 429.358 4.648 10 10 IJCE CC(C)(C)OC(=O)N(CCNCc1ccc(N2CCCC2)cc1)OCc1ccccc1 1941552636 MVXDLBAHFLXLKT-UHFFFAOYSA-N 425.573 4.745 10 10 IJCE CC(C)(C)OC(=O)Nc1cncc(CNCc2cc(Cl)cc(Br)c2O)c1 2136925844 TZAMIMNAECQPKE-UHFFFAOYSA-N 442.741 4.840 10 10 IJCE CC(C)CNCc1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(Br)c1 2152209896 QYHXNAQYKREIBQ-NRFANRHFSA-N 430.434 4.905 10 10 IJCE C[C@@H]1C[C@H](N(C)c2ccc(CNC3CC3)cc2Br)CN1Cc1ccccc1 2154841020 WCWPNMAAKQSMAB-UTKZUKDTSA-N 428.418 4.800 10 10 IJCE COc1ccc(Br)cc1C=C1C(=N)N2C(c3ccccc3)=CSC2=NC1=O 2293276368 VODGLGAWVMIUJM-UHFFFAOYSA-N 440.322 4.762 10 10 IJCE Cc1ccc(CNC2(C(F)F)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2381140365 JNDKRCLGKHNRME-UHFFFAOYSA-N 449.336 4.588 10 10 IJCE CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638796 UOSMDAFBLHQGFX-ZWOKBUDYSA-N 433.371 4.526 10 10 IJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@H]21 14478040 BWYMFACPNALWJW-YZZKKUAISA-N 439.537 4.596 10 10 IJCE Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)NC(=O)N=C3O)c3ccccc32)c1 27570531 UDUYEXMQESUFJX-UHFFFAOYSA-N 431.492 4.742 10 10 IJCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1c(Cl)cc(Br)cc1Cl 70333914 GELPQMLFQLQSIZ-UHFFFAOYSA-N 431.522 4.916 10 10 IJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526140951 AOOFAYDLFJGEFB-XMMPIXPASA-N 430.504 4.827 10 10 IJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 526227284 RSBSPZJRSUQYDO-QFIPXVFZSA-N 436.533 4.889 10 10 IJCE Brc1cc(CNCc2ccccc2Cn2ccnc2)ccc1N1CCCCC1 1656366775 NNSXLNYAAIOSBR-UHFFFAOYSA-N 439.401 4.974 10 10 IJCE CC(=O)c1ccc(Br)c(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 1672621910 DXDRHNANSCTZSX-CQSZACIVSA-N 432.362 4.779 10 10 IJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Br 2080036229 IUKPXLOEASSLFV-CQSZACIVSA-N 447.251 4.773 10 10 IJCE CNCc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2145265157 CZEOSAMNGGUVRK-IRLDBZIGSA-N 428.418 4.659 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@H]2CCCC[C@@H]21 2179394132 XLWZVTAXEVOWLN-JQHSSLGASA-N 439.394 4.670 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)c1 2294130816 JMDGRIKMFRFJJO-UHFFFAOYSA-N 427.504 4.686 10 10 IJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C 2297306636 MKSYLGQATTYPFC-UHFFFAOYSA-N 449.981 4.946 10 10 IJCE COc1ccc(OCCOc2ccc(Cl)cc2)c(C=C2SC(=S)N(C)C2=O)c1 2297358913 AAMGLNUFIBQCPK-UHFFFAOYSA-N 435.954 4.637 10 10 IJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)cc2)SC1=S 2314769963 XJZIDOMVVDILDI-IBGZPJMESA-N 427.547 4.591 10 10 IJCE Cc1ccc(CN(C)C(=O)CCCCCNC(=O)OC(C)(C)C)c(O)c1Br 2380760087 UQBZCFOBQXAXER-UHFFFAOYSA-N 443.382 4.507 10 10 IJCE Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1Br 2381136112 AVKZVCGNDYADNQ-QHCPKHFHSA-N 429.402 4.951 10 10 IJCE O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1csc2c1CCCC2 12538100 NWEIKCKTONBBGC-SXGWCWSVSA-N 434.995 4.827 10 10 IJCE COc1cc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)ccc1OC(C)C 40888696 YLUCUAQGIVRJRD-UNOMPAQXSA-N 449.594 4.560 10 10 IJCE CN(C)c1ccc(/C=C\[C@]23NC(=O)CCN2c2ccc(Br)cc2C3(C)C)cc1 102984767 OIHKKOMEIAGTHL-BLSBEMRDSA-N 440.385 4.542 10 10 IJCE CC1(C)CN(c2ccc(/C=C\C(=O)O)cc2Br)CCN1Cc1ccccc1 382624207 KTDYTQIIFUAPKE-LUAWRHEFSA-N 429.358 4.648 10 10 IJCE Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1F 687752885 NORIIGFERMUXBK-NRFANRHFSA-N 435.451 4.894 10 10 IJCE Cc1onc(-c2ccc(F)cc2)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726567949 SMLJDGZXECZSDM-UHFFFAOYSA-N 445.441 4.789 10 10 IJCE CCCc1ccc(-c2ccc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2)cc1 735586693 YJTIJAUNRGIABE-KRWDZBQOSA-N 432.520 4.836 10 10 IJCE Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C)n(-c3ccccc3Br)c2C)no1 737880780 AEYJAKHJUFZWGR-IBGZPJMESA-N 443.345 4.915 10 10 IJCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741212113 GVQDIYPTTJFZLP-MOPGFXCFSA-N 436.499 4.558 10 10 IJCE Cc1nc(-c2ccc(CNC(=O)NCc3cccc(Br)c3O)cc2)cs1 765476854 AKUZFWLXYCOUJZ-UHFFFAOYSA-N 432.343 4.586 10 10 IJCE CC(=O)N(c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1)[C@@H]1C[C@H]1C 1636229425 GLJOJYFBIZXYRB-PUAOIOHZSA-N 429.520 4.920 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1646435088 LUMPSBIEQDKCRH-UHFFFAOYSA-N 443.547 4.524 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(C)c1-c1ccccc1 1860760283 ZFARLYURNQXKFV-WMLDXEAASA-N 428.554 4.534 10 10 IJCE COC(=O)c1c(NC(=O)c2cccc3c2cnn3C(C)=O)sc(C)c1-c1ccccc1 1866065166 GZQALQSXHTXBLL-UHFFFAOYSA-N 433.489 4.772 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNCc1cc(Br)cc(F)c1O 1962838385 MVXVXJVSEJKSHQ-OAHLLOKOSA-N 431.346 4.563 10 10 IJCE Cc1ccc(Cn2nc(C3CCC3)c(I)c2C(F)(F)F)c(O)c1 2079004852 DKERUJBIGGEABE-UHFFFAOYSA-N 436.215 4.836 10 10 IJCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2080000092 PBZNLLLCQXZECT-QGZVFWFLSA-N 437.334 4.659 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CCC[C@@H]1CCN2Cc1ccccc1 2197393931 YFLCXHNYEGTJDM-XMSQKQJNSA-N 433.365 4.828 10 10 IJCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Br)cc(F)c2O)CCC12CCC2 2233915126 YZULDZNQPXBJFX-HNNXBMFYSA-N 443.357 4.706 10 10 IJCE O=C(CCCCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccc(F)cc1 2314831988 XEHKJJIRDDWZMW-UHFFFAOYSA-N 444.553 4.932 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 2314931259 CZKIMVLCTVNIEG-UHFFFAOYSA-N 443.546 4.571 10 10 IJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cccc(OC)c2O)cc1 2332099605 LFEWMMCPNDAQRC-UHFFFAOYSA-N 434.879 4.897 10 10 IJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(O)c(OC)c2)cc1 2332134926 ZTGQTIMRGAYLDK-UHFFFAOYSA-N 448.906 4.893 10 10 IJCE Oc1cccc(Br)c1CNc1cc(F)c(I)c(F)c1 2341213597 FYDQEEGNOXKJSB-UHFFFAOYSA-N 440.025 4.650 10 10 IJCE CCc1ccccc1N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 205947470 OUSQAHGLWPGNBO-KGENOOAVSA-N 434.521 4.511 10 10 IJCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 208353235 ASNXADBVMFCMQW-UNOMPAQXSA-N 449.444 4.724 10 10 IJCE NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2 250651829 QUHBTBGHRMZVAG-OHUGHZGNSA-N 432.545 4.740 10 10 IJCE COc1cnc([C@H]2CCCN2C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)nc1O 1636885026 RYEHKOPMZRTZJO-OAQYLSRUSA-N 434.540 4.699 10 10 IJCE CC[C@@H](C)N(C(=O)c1cc(OC)cc(OC)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 1859917436 PVBMTCZDZAEVRW-MRXNPFEDSA-N 443.499 4.925 10 10 IJCE CCc1sc(NC(=O)CCC(C)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865943591 LSFDWDRIAZPBDS-UHFFFAOYSA-N 438.343 4.834 10 10 IJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cc(F)ccc4C)cc3)CC2)cc1 1872872059 GXUDTXDHDURRNW-UHFFFAOYSA-N 434.511 4.684 10 10 IJCE CCNCc1ccc(N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(Br)c1 1921449690 LKASSMCSLCGPFK-OALUTQOASA-N 430.434 4.905 10 10 IJCE Cn1ccc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc21 1951407640 QZCUNUROEOZFTB-DEOSSOPVSA-N 440.499 4.713 10 10 IJCE CCC[C@@]1(NCc2ccc(Br)cc2O)CCCN(C(=O)OC(C)(C)C)C1 2101396719 CHCFKUJABKWVKO-HXUWFJFHSA-N 427.383 4.814 10 10 IJCE CN[C@@H](c1ccccc1O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425769 XDICLMGGYKMWSB-HKUYNNGSSA-N 435.362 4.551 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469222 LFPDIJPAHTXUKV-RLSLOFABSA-N 434.536 4.977 10 10 IJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 16926505 YFNFJXPUGBZDRH-VKAVYKQESA-N 435.567 4.791 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1 210711346 YWETWSBHTFQXHR-XMHGGMMESA-N 426.563 4.624 10 10 IJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C\C(=O)O)c(Br)c1 383349764 WAYYARMXINWLDE-IZTUGPKFSA-N 429.358 4.505 10 10 IJCE CNCc1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705673179 WRAYMYHROPONEE-DHIUTWEWSA-N 428.418 4.517 10 10 IJCE CC(C)[C@@H](CCNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 708180459 YKROFVNBSIRHPH-OAHLLOKOSA-N 435.790 4.837 10 10 IJCE O=C(c1cc(O)cs1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769652185 DAQZJLPNIJFOLO-CYBMUJFWSA-N 425.350 4.705 10 10 IJCE COc1cccc(CN(Cc2cc(C)cc(Br)c2O)C2CCC(O)CC2)c1 781911474 MSHVJFNYTWOOGD-UHFFFAOYSA-N 434.374 4.777 10 10 IJCE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)c([N+](=O)[O-])c1 1641022205 PBPKBRDEBPBKRX-UHFFFAOYSA-N 432.476 4.955 10 10 IJCE CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)cc(OC)c1O 1865672130 MPKBVIIVGQDMLW-LICLKQGHSA-N 429.314 4.664 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Br)cc3)C2=O)cc1 1865680049 UNBQHZZPGKEFMH-GDNBJRDFSA-N 425.204 4.806 10 10 IJCE Cc1ccc(O)c([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1952762443 MCDNPAIENNZUBK-NVQXNPDNSA-N 429.472 4.539 10 10 IJCE CNCc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2148935329 MJQHMOYZFIMWHE-SFTDATJTSA-N 428.418 4.517 10 10 IJCE CN[C@H](C)c1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 2168791537 PIWQWYWDLTUGRV-RLLQIKCJSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1cc(Br)cc(F)c1O 2184321846 UPBAJSBOMBRFRF-MRXNPFEDSA-N 445.373 4.809 10 10 IJCE COc1ccc(Br)c(CN[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1O 2236035669 GXNFAMOQTZUWBI-HXUWFJFHSA-N 433.390 4.554 10 10 IJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(Br)cc2O)C(F)(F)CC1 2284577532 GPYUOOOXIYYXFM-INIZCTEOSA-N 449.336 4.669 10 10 IJCE COc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296755589 OKUHSDVSEMZWJS-UHFFFAOYSA-N 446.981 4.969 10 10 IJCE O=C(O)CCCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2296882341 PQZAUPJDUAIPNR-UHFFFAOYSA-N 447.965 4.985 10 10 IJCE COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)ccc1O 2332134734 DULXVVSVHMYPFB-UHFFFAOYSA-N 428.769 4.537 10 10 IJCE CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(OC)c(OC)cc1OC 2332141191 MTAZDKLOWQDQLP-UHFFFAOYSA-N 445.313 4.671 10 10 IJCE CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5098644 VVPFSBILMLFYRC-VWLOTQADSA-N 429.564 4.685 10 10 IJCE CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 33457882 BLWLXNBJHRLXEX-LTGZKZEYSA-N 426.472 4.845 10 10 IJCE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 40867486 HNMMBGNPFJUJPY-RGEXLXHISA-N 426.563 4.720 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N[C@H](C)CC)cc3[C@H]3C=CC[C@H]32)cc1 251308126 DCVDNPNPMBTPQW-RNYZOKIBSA-N 426.582 4.989 10 10 IJCE C[S@](=O)Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 734506141 FBUMMKSAWDQAIA-KCEHZKJRSA-N 446.532 4.725 10 10 IJCE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1 778913946 HIXQWYKDJQPFSL-BVZFJXPGSA-N 449.547 4.917 10 10 IJCE Cc1cnc(O)n1-c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 1467501999 IDSPRWSMKHAFQK-INIZCTEOSA-N 438.959 4.706 10 10 IJCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2186721054 LWPNKOFPNWSSQY-AUUYWEPGSA-N 442.323 4.722 10 10 IJCE CCC1=NN2C(=N)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 2293374332 PHLACJXOOVIXIB-UHFFFAOYSA-N 431.496 4.858 10 10 IJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C)cc2C)C1=O)C(=O)O 2314932879 PPRPFDPVEATRFO-KRWDZBQOSA-N 427.547 4.951 10 10 IJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473527 ZWGDWFRNUNFMOK-PNLZDCPESA-N 441.915 4.841 10 10 IJCE CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 38199811 HWUCBDWFJQRGJH-MHWRWJLKSA-N 428.872 4.642 10 10 IJCE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 60512613 RXDQONNSNQGTEG-QGOAFFKASA-N 441.603 4.839 10 10 IJCE CCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S 96935942 VTAZPLGFWFTGIL-NVNXTCNLSA-N 439.534 4.717 10 10 IJCE O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(Br)cc1 526431434 CLUHGBQQEHRTCI-GOSISDBHSA-N 444.306 4.979 10 10 IJCE CN[C@H](C)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(Br)c1 702096071 DOOUNSPDBPWCLA-LLBVYWAGSA-N 428.418 4.688 10 10 IJCE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Br 706821880 SLMHOXYSCZSLHZ-JLTOFOAXSA-N 427.383 4.718 10 10 IJCE CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679440 NLQROPMIKNYFJU-LDADJPATSA-N 429.432 4.715 10 10 IJCE CCCCN(CC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868003967 CSCDESBJSNVDIW-UHFFFAOYSA-N 446.599 4.500 10 10 IJCE CN(C)c1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1952739454 BTXJGGXKUGTIDS-SHQCIBLASA-N 442.515 4.591 10 10 IJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2Br)C2(C)CC2)cc1C 2080026943 ZYBLKEWQXKBVHG-QGZVFWFLSA-N 434.378 4.754 10 10 IJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(N2CCCCC2)cc1 2321684709 WFTVXPWNMKUQDM-UHFFFAOYSA-N 425.535 4.991 10 10 IJCE CCOc1cccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1O 2321698133 LIWLMSDHVFSXKS-UHFFFAOYSA-N 426.563 4.797 10 10 IJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 2326974201 AILQHVSSUHUMPG-UHFFFAOYSA-N 440.590 4.628 10 10 IJCE CCOc1ccc(C=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OCC 2331494047 BJIDMGKJJWHMBW-UHFFFAOYSA-N 441.483 4.911 10 10 IJCE CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)c(O)c(OC)c1 2332147598 MUDZNDKSTCJPRV-UHFFFAOYSA-N 435.307 4.908 10 10 IJCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)cc1 1411706 UUSBZZBLYRBNGI-UYRXBGFRSA-N 436.514 4.501 10 10 IJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14471719 IDUXWXBPJPSBTQ-MZKRTTBSSA-N 439.537 4.596 10 10 IJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 33332250 CCMYCYOCCACDSF-NDENLUEZSA-N 448.906 4.697 10 10 IJCE COCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S 38732481 OCOVXGFWKAEHEO-ZHZULCJRSA-N 441.622 4.627 10 10 IJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c(C)c1 59861781 CNNKBOHEGJQMGG-LDADJPATSA-N 431.404 4.978 10 10 IJCE CCc1ccc(OCCOc2c(/C=C3/SC(=S)N(CC)C3=O)cccc2OC)cc1 102445249 NNNLZADTFZMWEY-HMMYKYKNSA-N 443.590 4.937 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2O)C12CCCC2 401514906 JWJGGVCAONRFJJ-INIZCTEOSA-N 425.367 4.567 10 10 IJCE Cc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(C)n1-c1cccc(Br)c1 733883651 WJTWXYQOXPVSTE-UHFFFAOYSA-N 436.313 4.894 10 10 IJCE CN1CCC[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 742372528 CPHHPRABDOYBHU-AUSIDOKSSA-N 428.602 4.819 10 10 IJCE Brc1cc(CN[C@H]2CCOC3(CCSCC3)C2)ccc1N1CCCCC1 1661975280 JUWDFPCVBKNUBL-SFHVURJKSA-N 439.463 4.974 10 10 IJCE CCCOc1ccc(/C=C2/SC(=S)N(CCCCN(CC)CC)C2=O)cc1OC 1858595632 FQJXQMZZXMPYKB-CAPFRKAQSA-N 436.643 4.807 10 10 IJCE CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865985321 ITCBAPDXKKBFST-MZNJEOGPSA-N 441.531 4.509 10 10 IJCE COc1cc(CNC(=O)OC(C)(C)C)ccc1NCc1ccc(Br)cc1O 1964609242 YNVCIMGHUOHZBO-UHFFFAOYSA-N 437.334 4.800 10 10 IJCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1984694768 KPVFNELUAMVZJU-ZWKOTPCHSA-N 447.539 4.853 10 10 IJCE COc1ccc(Br)c(CN[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c1O 2236054699 LVFTUFZELOYYEN-HXUWFJFHSA-N 445.398 4.582 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1cccc(C)c1 2293547254 ZNUYVTAOSIBEIL-UHFFFAOYSA-N 429.563 4.683 10 10 IJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)o2)cc1 2296705930 AIJVTCJGTQKZGB-UHFFFAOYSA-N 446.531 4.820 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313560255 OATBCNATVZYGFH-UHFFFAOYSA-N 427.504 4.720 10 10 IJCE C[C@@H]1CN(C2=NC(=O)C(=CC3=Cc4ccccc4O[C@H]3c3ccccc3)S2)C[C@@H](C)O1 2314432950 IHLSEVPMTLNXFC-QZMQVMSPSA-N 432.545 4.826 10 10 IJCE CC[C@@H](N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2329003430 LCHMSVCZNKUUPP-VDNDLQMASA-N 425.367 4.593 10 10 IJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccc([N+](=O)[O-])cc2)cc1 2332148331 OUTAWEVNJDMKFG-UHFFFAOYSA-N 431.423 4.573 10 10 IJCE O=C1/C(=C\c2cn[nH]c2-c2ccccc2)SC(=S)N1Nc1nc2ccccc2s1 35519194 MINBATZAKBGZPP-MHWRWJLKSA-N 435.559 4.915 10 10 IJCE CC(C)(C)OC(=O)NCCOc1ccc(NCc2cccc(Br)c2O)cc1 378882830 IKKHADJLOZQMEW-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CS(=O)(=O)N(Cc1cccc2ccccc12)c1cccc2c1C(=O)c1ccccc1C2=O 586185740 FLVMMZHIOIMZEC-UHFFFAOYSA-N 441.508 4.581 10 10 IJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C1CCCCC1 1083976610 NEAFRQBASQASOB-AQTBWJFISA-N 425.529 4.581 10 10 IJCE O=[N+]([O-])c1cccc(N=NN(/C=C\I)c2cccc([N+](=O)[O-])c2)c1 1084307289 KKVKTIODVCHLFX-HBOMWCDGSA-N 439.169 4.915 10 10 IJCE CC[C@@H](Oc1ccccc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O)C(=O)O 1614238855 CGWRHOZVQNYTEI-QCJYWOSOSA-N 427.547 4.891 10 10 IJCE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705873992 BHYBTIBARGBXGQ-QHCPKHFHSA-N 435.616 4.635 10 10 IJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)c1 1860085925 VEFQCLKMFWJILE-XDHOZWIPSA-N 443.546 4.764 10 10 IJCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Br)c(OC(C)C)c(OC)c1 1865671881 SUEWAMSZPUCMAC-XNTDXEJSSA-N 444.329 4.836 10 10 IJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)c(C)c4)c3)CC2)cc1 1872851650 JTNFARUEOYZFAY-UHFFFAOYSA-N 430.548 4.853 10 10 IJCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NCc3cc(Cl)cc(Br)c3O)[C@H]21 1966018577 KPKUBSLNUFYWHO-KBMXLJTQSA-N 445.785 4.686 10 10 IJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2044750200 MEJAJOSRBMLPJB-BJKOFHAPSA-N 441.616 4.903 10 10 IJCE CCNCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163334588 NBIKGILPGDMFLL-QHCPKHFHSA-N 428.418 4.661 10 10 IJCE CC(C)NCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1Br 2188880625 WAQRAMVRDWSDQQ-NFBKMPQASA-N 428.418 4.658 10 10 IJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 2297334814 LSNWHTDMYCBWSC-UHFFFAOYSA-N 442.855 4.890 10 10 IJCE COc1ccc(C=C2SC(=O)N(CCCC(=O)Nc3cccc(O)c3)C2=S)cc1 2297450075 LUPDFIGCNXGJIG-UHFFFAOYSA-N 428.535 4.657 10 10 IJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2313510844 YZEDETKRARWSQR-UHFFFAOYSA-N 429.472 4.731 10 10 IJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1 2313681461 FOHQLTWDJNQHHK-UHFFFAOYSA-N 434.521 4.972 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OCC 2318753342 HOMVLURQXYMDGA-UHFFFAOYSA-N 442.562 4.848 10 10 IJCE CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)C1=O 2332113498 BBTFGUGOSFAKKC-UHFFFAOYSA-N 432.442 4.871 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1 14475201 AVKQGULGRDREQM-JCYRPKCISA-N 446.572 4.687 10 10 IJCE Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2)cc1C 27572522 SHKNKHQPVJMLNE-GERRNVAGSA-N 433.533 4.928 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(Br)cc1O 33740788 DIKQMVBTYKIXIY-VIZOYTHASA-N 440.340 4.548 10 10 IJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 210671057 VKYGDCZMRUEZGL-LDADJPATSA-N 428.554 4.963 10 10 IJCE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226652851 WUISBDGWKZDSKW-SLSDLSHTSA-N 437.609 4.754 10 10 IJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1 250496809 AVKQGULGRDREQM-PLXFJCCSSA-N 446.572 4.687 10 10 IJCE CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 526157697 IRTSGTWORYRDAF-DEOSSOPVSA-N 446.478 4.720 10 10 IJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 526271009 BGYHRYWJTULRHF-NRFANRHFSA-N 441.842 4.956 10 10 IJCE CCN(CC)C(=O)CCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S 606671975 IQAUCPMVIKPSKP-QINSGFPZSA-N 430.517 4.555 10 10 IJCE Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 1865679673 ZJBWAFAOHWACIM-MOSHPQCFSA-N 441.443 4.509 10 10 IJCE CC(C)(C)OC(=O)N1CCC12CC(CNCc1cc(Cl)cc(Br)c1O)C2 1966069740 BXLDVKXIOWKQOT-UHFFFAOYSA-N 445.785 4.687 10 10 IJCE CCC[C@@]1(NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)C1 2101355478 GWLJQPJJTNZHDA-LJQANCHMSA-N 431.346 4.563 10 10 IJCE CC[C@H](NC[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2168248582 LZIPXSUVGPQBDR-ZSOFBXJNSA-N 445.373 4.838 10 10 IJCE C[C@H](O)c1ccc(N(C)Cc2ccccc2I)c(Br)c1 2280255474 SPGNRANZRJKHEU-NSHDSACASA-N 446.126 4.743 10 10 IJCE COc1ccc(N2CCN(C(=O)C=Cc3ccc(-c4ccc(Cl)cc4N)o3)CC2)cc1 2296474326 OAZJOBKXFGVGMN-UHFFFAOYSA-N 437.927 4.553 10 10 IJCE N=C1C(=Cc2ccccc2OCc2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335461 XKXNOEPRQJTRDK-UHFFFAOYSA-N 438.512 4.933 10 10 IJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1Cl 2297335696 XRMDXQMKHMQBIW-UHFFFAOYSA-N 435.954 4.685 10 10 IJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(OC)cc3)cc2)SC1=S 2297347771 JKUCHGWCWSWRRJ-UHFFFAOYSA-N 429.563 4.764 10 10 IJCE Cc1ccc(CNCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1Br 2381138468 OKPVVJMSTDEQOR-INIZCTEOSA-N 441.410 4.980 10 10 IJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(F)cc1 15044071 IUOSFQBXPYRWFB-RGEXLXHISA-N 444.553 4.932 10 10 IJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC 20070970 GGCLGPNZMJWWRI-UQBPGWFLSA-N 432.476 4.660 10 10 IJCE CCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 40940196 CAEVTZREXRYRNP-GZTJUZNOSA-N 432.954 4.675 10 10 IJCE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860083406 NLYOBTMJUFSKNW-CYBMUJFWSA-N 428.485 4.719 10 10 IJCE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1 1865677197 WZNGNRFCQZWGBD-QPEQYQDCSA-N 427.741 4.731 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NCc1cc(Cl)cc(Br)c1O 2088574210 VBRKGPZDUQZHBC-XPKDYRNWSA-N 445.785 4.686 10 10 IJCE CCc1ccc(NCc2cc(Br)ccc2O)cc1I 2128687030 MTNYGIPFDSLWHY-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE CC[C@H](N[C@H]1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2161555448 LVOMVXSLVBBBEI-BODMPHMZSA-N 439.394 4.841 10 10 IJCE CN[C@H](c1ccccc1O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425770 XDICLMGGYKMWSB-PKOBYXMFSA-N 435.362 4.551 10 10 IJCE CC[C@@H](N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2354576197 LVOMVXSLVBBBEI-LBTBCDHLSA-N 439.394 4.841 10 10 IJCE Cc1ccc(CNC[C@@H]2C[C@H]3CCC[C@@H]3N2C(=O)OC(C)(C)C)c(O)c1Br 2381134216 ZLDFSKQUUHGJKH-PVAVHDDUSA-N 439.394 4.731 10 10 IJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 2970213 ZHVCCXFJTHDMMB-WKJBMATJSA-N 436.602 4.583 10 10 IJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472926 SRABIDSZDSDXQI-GCKMJXCFSA-N 447.944 4.761 10 10 IJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2ccc(F)cc2)cc1 19643386 IVYMPPYENNRNFS-JJIBRWJFSA-N 445.494 4.658 10 10 IJCE CCOC(=O)c1sc2ncnc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c2c1C 20161721 GAOLHCSJEIWOQG-UHFFFAOYSA-N 443.484 4.695 10 10 IJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(C(C)C)C3=O)cc2)cc1 33340434 JUIWNNOQETZZDW-VUIHOAHMSA-N 439.558 4.924 10 10 IJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2ccc(F)cc2s1 39874944 AQPGEMQWMDYZGR-ZROIWOOFSA-N 449.579 4.727 10 10 IJCE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)SC2)cc1 72413083 SAXUQYSDJAGETK-SFHVURJKSA-N 443.370 4.932 10 10 IJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 526401651 GONUWMSHYLQQQR-QHCPKHFHSA-N 447.487 4.871 10 10 IJCE COc1ccc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC 745807591 FKFZTABKXVFAQN-GOSISDBHSA-N 426.557 4.885 10 10 IJCE COC(=O)c1ccc(-n2c(C)cc(C(=O)Cc3nc(O)c4ccc(Cl)cc4n3)c2C)cc1 917262357 UVSAOZZEMMAALW-UHFFFAOYSA-N 449.894 4.608 10 10 IJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866053617 PHFBSNLIDKSLSC-UHFFFAOYSA-N 432.501 4.912 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873167290 ZSDSWXOCKPQUNG-MBSDFSHPSA-N 433.596 4.998 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(CN3CCCC3)c[nH]c2c1 1874179291 WSCBWXPAQXIOIK-UHFFFAOYSA-N 449.510 4.791 10 10 IJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccccc1O 1952863399 VLKQJHWVIXBERM-ZJSXRUAMSA-N 429.472 4.789 10 10 IJCE C[C@@H]1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)CN1C(=O)OC(C)(C)C 2042391248 OCLPWECFWBDLKY-NEPJUHHUSA-N 433.774 4.543 10 10 IJCE CN(c1cc(Br)c(CN)cc1F)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151263247 UHWSDXMZYVRTTN-REPLKXPHSA-N 432.381 4.679 10 10 IJCE C[C@@H](O)c1ccc(N(C)Cc2cccc(I)c2)c(Br)c1 2280265690 GHROFNOMRGSMNW-LLVKDONJSA-N 446.126 4.743 10 10 IJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)c(C)c1 2293556335 DSCMOBQUGPLDQS-UHFFFAOYSA-N 443.590 4.991 10 10 IJCE CCOc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 2294522359 FGADVPIDOBOLAP-UHFFFAOYSA-N 430.507 4.798 10 10 IJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 2296938929 SENBELCKSJBULL-UHFFFAOYSA-N 441.487 4.805 10 10 IJCE Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 2297341637 WDOQPBPTUUBRBZ-UHFFFAOYSA-N 430.316 4.614 10 10 IJCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OC 2323739150 NQGJHBJQCCZZOD-UHFFFAOYSA-N 429.563 4.546 10 10 IJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 2332125583 RJVPJJCORPNYBW-UHFFFAOYSA-N 434.414 4.840 10 10 IJCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C3(CCCC3)C2)c(O)c1Br 2381128836 AGPSLSMZWMNYMP-MRXNPFEDSA-N 439.394 4.875 10 10 IJCE COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 40940681 KQDXKYDDEVFRCX-DEDYPNTBSA-N 434.542 4.703 10 10 IJCE COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)ccc21 483671218 SMHIVAKJMIZXNO-UHFFFAOYSA-N 429.524 4.819 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 705958223 RAMARHFALHFQCC-HOJAQTOUSA-N 428.418 4.688 10 10 IJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1sncc1Br 1167363954 PXWLQAXPEDEFCP-UHFFFAOYSA-N 438.391 4.883 10 10 IJCE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(Cl)c1 1189166919 YUCULYYMHYXSBO-UHFFFAOYSA-N 439.895 4.983 10 10 IJCE CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 1270431213 IEHJXMAABVBNRL-WMZOPIPTSA-N 428.960 4.863 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 1859075420 ONRQUNQPCKDCPA-SDNWHVSQSA-N 430.464 4.565 10 10 IJCE CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865930904 VIVUBZZTJSSKRM-BWKNWUBXSA-N 437.628 4.987 10 10 IJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S 2297554505 AYZMTSGJIDGETP-SFHVURJKSA-N 427.547 4.638 10 10 IJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1C 2313560311 PLCKICBGKYVHPM-UHFFFAOYSA-N 431.467 4.516 10 10 IJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(=O)O)cc2)C1=O)C(C)=O 2314927602 HYULFSQKHXFJGL-QGZVFWFLSA-N 441.530 4.537 10 10 IJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C1=O)cn2C 2321742585 GCPLVJCPTJFALQ-UHFFFAOYSA-N 439.518 4.809 10 10 IJCE O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 3070931 KKZIPENLHVDFBD-VWLOTQADSA-N 428.444 4.738 10 10 IJCE Cc1ccccc1OCCCn1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c2ccccc21 4633905 YELARKSWNLANPI-GNMKNICSSA-N 443.532 4.668 10 10 IJCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(CC)CC)cc3[C@H]3C=CC[C@H]32)cc1 14480629 LZBGWCPKNWUDGE-IMSXRSKXSA-N 426.582 4.942 10 10 IJCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 210939408 KINPWKFLKCLLQL-YQNUULROSA-N 443.546 4.511 10 10 IJCE CCc1cccc(CNc2ccc(I)cc2Br)c1O 691472285 FIEUDYHCBQSOSU-UHFFFAOYSA-N 432.099 4.934 10 10 IJCE Brc1cc(CNCc2ccc(C3OCCO3)cc2)ccc1N1CCCCC1 1620790995 VJDJGKJEDACTMT-UHFFFAOYSA-N 431.374 4.775 10 10 IJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1 1705509781 JREKNZOIBDAPES-UHFFFAOYSA-N 428.540 4.781 10 10 IJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OC 1860085054 IUHZTSAJKXBACW-YBFXNURJSA-N 431.535 4.517 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)[C@@H]1C(C)(C)C 1877293155 WBNPPBYFXQKVJB-DOTOQJQBSA-N 427.383 4.668 10 10 IJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1Br 1891375850 WZROFWDRQYFVEA-UHFFFAOYSA-N 431.283 4.652 10 10 IJCE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C(C)(C)C)c2I)c1 2079798126 XCMOYJKTOFIPJK-UHFFFAOYSA-N 440.325 4.599 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]2CC[C@H]21 2121183938 OLCLSJNHJONJFH-CWRNSKLLSA-N 445.785 4.686 10 10 IJCE C[C@@H](NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192610426 AUYOREDQXAAMIO-GFCCVEGCSA-N 435.318 4.993 10 10 IJCE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O 2296882119 JMCGWYTVASJIND-UHFFFAOYSA-N 439.345 4.539 10 10 IJCE COc1ccc(Br)cc1C=C1SC(=S)N(c2ccccc2OC)C1=O 2297366979 OQPUAYKIWXAMPG-UHFFFAOYSA-N 436.352 4.872 10 10 IJCE CCOc1ccc(N2C(=O)C(=Cc3cccc(OCC)c3O)SC2=S)cc1OCC 2321733880 SOLCDODOBFLRKI-UHFFFAOYSA-N 445.562 4.994 10 10 IJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131831 KIWRJRIROMUQQH-UHFFFAOYSA-N 446.890 4.877 10 10 IJCE Cc1ccc(NCc2ccc(C)c(Br)c2O)c(I)c1 2352679709 MVFVBXCVCGLIHU-UHFFFAOYSA-N 432.099 4.988 10 10 IJCE Cc1ccc(CNC[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1Br 2381139680 ZWJRPSZXDATHLS-XGBSXSJOSA-N 439.394 4.731 10 10 IJCE Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C/c2ccc(O)c(Cl)c2)C1=O 34234843 CWIPKUZPYAQDJU-GHXNOFRVSA-N 435.661 4.623 10 10 IJCE Cc1cc2c(n1-c1ccc(I)c(Br)c1)CCC[C@@H]2O 311706357 IXSUCLMMYBMOHA-HNNXBMFYSA-N 432.099 4.523 10 10 IJCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1Br 715029268 SERSDGCPOFLTKO-GEQKSPFYSA-N 428.418 4.960 10 10 IJCE C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N(C)C)cc1 776239824 WLBRDJHXPDDCCF-LPHOPBHVSA-N 437.519 4.592 10 10 IJCE Cc1cc(C(=O)Nc2cccc3nc(O)[nH]c23)c(C)n1-c1ccccc1Br 1638150768 BVJCVZTXKFWRKZ-UHFFFAOYSA-N 425.286 4.691 10 10 IJCE Brc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1N1CCCCC1 1657764893 AAICOVLHBMWHQW-NRFANRHFSA-N 445.401 4.719 10 10 IJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)sc(C)c1-c1ccccc1 1860760281 ZFARLYURNQXKFV-PBHICJAKSA-N 428.554 4.534 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 1872958067 PTHRDZGLCJYOQH-UHFFFAOYSA-N 426.394 4.955 10 10 IJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(Cl)ccc1O 1951727534 GBLPUPCBPCUFSW-XMMPIXPASA-N 437.879 4.884 10 10 IJCE Oc1cc(Cl)ccc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079835374 DTDSQNIZBZHWDH-UHFFFAOYSA-N 442.606 4.791 10 10 IJCE C[C@@H](N)c1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148939120 OIXADVREVDFAHX-YZGWKJHDSA-N 428.418 4.817 10 10 IJCE CCN(CC)CCCCN1C(=O)C(=Cc2cn(C)c3ccc(OC)cc23)SC1=S 2318684251 WBRNAXMVLBOWOQ-UHFFFAOYSA-N 431.627 4.510 10 10 IJCE CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141054 DWTAYCAHJGYXFA-UHFFFAOYSA-N 427.844 4.606 10 10 IJCE O=C1C(=Cc2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 2332144794 NZBVKNWOQLAPEK-UHFFFAOYSA-N 427.741 4.731 10 10 IJCE Cc1ccc(CNC2CCC3(CC2)C[C@H]3NC(=O)OC(C)(C)C)c(O)c1Br 2381133215 LPKITZMPLRCPGO-ZGOJQLDESA-N 439.394 4.779 10 10 IJCE CCC(=O)OCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 9641488 CYSABZGIMKNBQK-UHFFFAOYSA-N 433.508 4.785 10 10 IJCE COc1cc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641121 MFUBXMYYKKIRMB-IUKKYPGJSA-N 434.536 4.775 10 10 IJCE CN(C)c1ccc([C@@](C)(C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 226780948 FDDZTNLVAFLMDG-MHZLTWQESA-N 444.531 4.933 10 10 IJCE COc1ccc(N2CCN(C(=O)c3sc(-c4ccc(Cl)cc4)nc3C)CC2)cc1 302758364 UYDOUODEUSDFDB-UHFFFAOYSA-N 427.957 4.743 10 10 IJCE COc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526329570 VQTQNPIXRSRAGF-JOCHJYFZSA-N 436.533 4.889 10 10 IJCE O=C(c1ccccc1)c1ccc(O)c(CN2CCC(Oc3ccc(F)cc3F)CC2)c1O 728196283 OALIGMSXIUOLQC-UHFFFAOYSA-N 439.458 4.650 10 10 IJCE CC(=O)c1cc(F)cc(CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1O 1643274983 WZEJNHSTGSBCPQ-OAQYLSRUSA-N 430.520 4.870 10 10 IJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1858589736 HIOGMROZYZGQMY-QGVDLHDWSA-N 446.638 4.714 10 10 IJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858596173 OLSOODGINBZQJH-NNCFPLSOSA-N 441.574 4.966 10 10 IJCE CCOc1cc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)ccc1OC 1859440767 BCWIUSKBHTXPFL-UHFFFAOYSA-N 430.508 4.956 10 10 IJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1O 1951595229 QZNMDXKTIPEWAN-HSZRJFAPSA-N 447.487 4.933 10 10 IJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2Br)cc1C 2080054720 UONVQFIUCCPCIH-OAHLLOKOSA-N 429.261 4.993 10 10 IJCE C[C@H](O)c1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2163262375 QLEXLVXRKGCIRC-MBSDFSHPSA-N 429.402 4.995 10 10 IJCE CCN[C@H](C)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(Br)c1 2187740703 JTQDWOGTBNGHHQ-LMNJBCLMSA-N 428.418 4.830 10 10 IJCE Cc1ccc(CN2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(O)c1Br 2380786510 KTRNJYFUARDREH-FPOVZHCZSA-N 429.402 4.950 10 10 IJCE Cc1ccc(CNCC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1Br 2381139064 ZWJRPSZXDATHLS-ZXFUBFMLSA-N 439.394 4.731 10 10 IJCE COc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c(OC)c1 34793122 PNNNPIVTVSDNNA-CXUHLZMHSA-N 436.352 4.872 10 10 IJCE CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OCC)c3C)C(=O)N=C2S1 102446247 KMBQFLCXDDUELI-DZLJMLGJSA-N 435.553 4.912 10 10 IJCE Cc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)sc2c1 208739607 YMXFOVUDKWUKFW-CXUHLZMHSA-N 443.550 4.584 10 10 IJCE O=C(/C(Cc1ccccc1)=C1\SC(=S)N(Cc2ccccc2)C1=O)N1CCCCC1 211949319 LFGDKTJTFPCYEH-MRCUWXFGSA-N 436.602 4.556 10 10 IJCE CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226739297 LFPDIJPAHTXUKV-OHUGHZGNSA-N 434.536 4.977 10 10 IJCE CC(C)(C)OC(=O)N[C@H](CCNCc1cc(Br)ccc1O)c1ccccc1 312185017 IPCRFCSXTDVZJE-GOSISDBHSA-N 435.362 4.900 10 10 IJCE CC(C)NCc1ccc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 382767406 HKJVQQNFBBJDRI-NRFANRHFSA-N 430.434 4.905 10 10 IJCE Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 771065265 MPBFICSZGNKYAD-IBGZPJMESA-N 443.906 4.543 10 10 IJCE COc1cc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC 1858588610 OMMXZRKGRVCHJB-GFSPWQDDSA-N 433.595 4.738 10 10 IJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cccc(OC)c2O)cc1 1865658870 UYNRZMZFEDTXNH-HZHRSRAPSA-N 442.515 4.856 10 10 IJCE O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1ccccc1F 1865676595 FWYHUYXESWNFIJ-GHXNOFRVSA-N 427.741 4.731 10 10 IJCE COc1ccc(N2CCN(c3cc(N(C)CC(C)(C)c4ccccc4)nc(C)n3)CC2)cc1 1869295444 NCILNMSUJRPQCY-UHFFFAOYSA-N 445.611 4.534 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccccc3Br)C2=O)cc1 1872958311 ZNNVHBUCTNGERJ-UHFFFAOYSA-N 437.293 4.699 10 10 IJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873164464 CRBMXJNMDSHMEO-UHFFFAOYSA-N 431.511 4.513 10 10 IJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 1874180016 VUNLWTNOZQOBHO-UHFFFAOYSA-N 427.847 4.758 10 10 IJCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)c1ccc(N2CCCC2)cc1 2044731531 WGQUWEIBNQFAPJ-ISKFKSNPSA-N 440.584 4.820 10 10 IJCE CCCCOc1ccccc1C=C1SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 2293152592 KIPLNKDFUOGDBF-UHFFFAOYSA-N 435.593 4.654 10 10 IJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 2296711367 RXDQONNSNQGTEG-UHFFFAOYSA-N 441.603 4.839 10 10 IJCE CCC(=O)OCCNc1cc(N2C[C@@H](C)C[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 9641378 RUCUEZBJAOBDPY-HOTGVXAUSA-N 447.535 4.887 10 10 IJCE COc1ccc(O)c(C2=NN3[C@H](c4cc(OC)ccc4OC)Oc4ccccc4[C@H]3C2)c1 20071272 LAXYJJGUPRLGQC-BWKNWUBXSA-N 432.476 4.660 10 10 IJCE O=C(CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O 33313395 GSRODGXDOBECJW-NXGCWKMQSA-N 444.965 4.832 10 10 IJCE CCN(CC)c1ccc([C@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)cc1 54596797 ZBEUXWJYIWFBPP-XMMPIXPASA-N 441.641 4.853 10 10 IJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cc(Cl)ccc1O)N2 65297963 ORLYXTWNAYWBCZ-HXUWFJFHSA-N 427.932 4.518 10 10 IJCE biogenic Cc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1F 103400033 OFBLJLWPGZZZIE-OEAKJJBVSA-N 435.474 4.749 10 10 IJCE Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 206856457 QDSGTOVJVXIHRQ-UYRXBGFRSA-N 427.547 4.640 10 10 IJCE CCCCOc1ccc(/C=C\C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 209665413 LEUAWSPMHWKYNJ-ZSOIEALJSA-N 438.568 4.635 10 10 IJCE C[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C[C@@H]1n1ccnc1 759116035 DOMFAJIIVHOSBE-YSZBQJHXSA-N 442.523 4.514 10 10 IJCE Brc1ccc(CNCc2ccc(N3CCCCC3)c(Br)c2)nc1 1560562570 ATESDMBYHONQRC-UHFFFAOYSA-N 439.195 4.887 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1)C1CC1 1625203310 QWUGKFCWQWEUMZ-UHFFFAOYSA-N 429.520 4.603 10 10 IJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)n1 1867956393 AYEUVZWKXXGKOE-ZBLYBZFDSA-N 449.643 4.779 10 10 IJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1O 1951667000 ZAZYTFDZRZYORC-JOCHJYFZSA-N 435.451 4.976 10 10 IJCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C3CCC3)c2I)c1 2079834453 JQXSEPLWHFEONN-UHFFFAOYSA-N 438.309 4.785 10 10 IJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2Br)cc1C 2080054719 UONVQFIUCCPCIH-HNNXBMFYSA-N 429.261 4.993 10 10 IJCE CC[C@H](N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 2104843944 NHEHMWMNKBTWPZ-ZUEVXXBESA-N 431.346 4.591 10 10 IJCE CC(C)(C)OC(=O)N1CC[C@@H](CNCc2c(O)cccc2Br)CC1(C)C 2115821327 VIWLEBNVDXWELE-CQSZACIVSA-N 427.383 4.670 10 10 IJCE Oc1c(F)cc(Br)cc1CNC[C@]12CC[C@@H]1CCCN2Cc1ccccc1 2145618258 QSPFLKBRBUVNPR-PGRDOPGGSA-N 433.365 4.828 10 10 IJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 2296398153 WVNBQAKIOSOSAJ-UHFFFAOYSA-N 445.470 4.892 10 10 IJCE COC(=O)Cn1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2297351369 ODTDYOLJOWFVQL-UHFFFAOYSA-N 442.949 4.874 10 10 IJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)c1 2321585804 ONRQUNQPCKDCPA-UHFFFAOYSA-N 430.464 4.565 10 10 IJCE CCCOc1c(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cccc1OC 2332118381 FNTLAJITGJNGFA-UHFFFAOYSA-N 436.405 4.967 10 10 IJCE Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccc(F)cc2)cc1 9514552 JLLBEYWTYMMSSS-UHFFFAOYSA-N 448.313 4.928 10 10 IJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 33417605 PLEAUXRLRMZOFR-MHWRWJLKSA-N 436.480 4.854 10 10 IJCE CSCC[C@H](NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C)c1nnc2ccccn12 105222060 LPPSMJAMNRAZAC-GNNUASRNSA-N 445.592 4.761 10 10 IJCE CCCCCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S 208278036 WBEWBWAMZMLELF-CAPFRKAQSA-N 441.622 4.853 10 10 IJCE Cc1ccc(-c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)n2)cc1 586565847 TVZRJARWASREHI-UHFFFAOYSA-N 434.451 4.790 10 10 IJCE Cc1cc(CCNC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1 747579874 DEJHBXSWIOVDMS-RQZFFVEVSA-N 437.609 4.777 10 10 IJCE CNC(=O)Oc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 793694694 GJVCRZPGOVOWEK-OAQYLSRUSA-N 443.463 4.564 10 10 IJCE Brc1cc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)ccc1N1CCCCC1 1201842924 SHSHPKWNCVRHLF-NZSAHSFTSA-N 427.477 4.909 10 10 IJCE CC(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)ccc21 1611011335 KMKPOHUPIAQLQQ-UHFFFAOYSA-N 429.520 4.766 10 10 IJCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@@](C)(C3CC3)C2)c(Br)c1 2151081161 UUEZTRBTSIGMQK-HSZRJFAPSA-N 428.418 4.659 10 10 IJCE CC[C@@H](NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Br)ccc1O 2159268464 YTZQIOOIGFDDLM-GDBMZVCRSA-N 443.382 4.567 10 10 IJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)O 2314931903 JASNBTNXAFFDJG-UHFFFAOYSA-N 449.937 4.608 10 10 IJCE Cc1ccc(CNC[C@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c(O)c1Br 2380812580 XCCCJXNVMSLDFQ-OFNKIYASSA-N 429.402 4.855 10 10 IJCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c(O)c1Br 2381132351 ZXAJNPSOKUGVCX-IRXDYDNUSA-N 439.394 4.731 10 10 IJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(C)C)cc3)cc12 3649863 VEBOURHXXLFZCO-IZZDOVSWSA-N 431.536 4.819 10 10 IJCE N=C1/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N=C2SC(C(F)(F)F)=NN12 102469903 CDWQJBPFRXMVRF-SVXYZCDKSA-N 448.401 4.586 10 10 IJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NC2CCCC2)cc1 205961407 PLZZSYADQTUNJM-RCCKNPSSSA-N 432.549 4.862 10 10 IJCE C[C@H](O)c1ccc(N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1Br 705900332 GZZSQULNXNGPMO-JJEOQYAHSA-N 429.402 4.851 10 10 IJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]1C2 708202217 AUAVKVWPXVDKIC-TUKIKUTGSA-N 445.785 4.686 10 10 IJCE CCNCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1Br 719372674 URKCTGZOMSWNMS-PMACEKPBSA-N 428.418 4.517 10 10 IJCE C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)c1ccc(N)cc1 789752834 TYQDAJTYHKZPDQ-QGZVFWFLSA-N 432.524 4.821 10 10 IJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 1872956264 GWOGGXPXPOCIQY-UHFFFAOYSA-N 426.394 4.955 10 10 IJCE CC[C@H](N[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O 1923157472 CBALSTGWTZSWOX-LXZKKBNFSA-N 427.383 4.841 10 10 IJCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CC1(C)C 2037668504 WARKSVDRWDZUBK-ZDUSSCGKSA-N 433.774 4.686 10 10 IJCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc2c(c1)CCCN2C 2044757818 DANPCSQYBOCLSZ-GKVQRAMASA-N 439.600 4.567 10 10 IJCE COc1cc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 2313683079 RFMZVTUBTKTWEL-UHFFFAOYSA-N 443.503 4.849 10 10 IJCE CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332140996 AUGPLKGZRKJPTR-UHFFFAOYSA-N 427.844 4.606 10 10 IJCE Cc1ccc(CN[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(O)c1Br 2380812511 WMRFTEFOZUZBCS-WBAXXEDZSA-N 439.394 4.587 10 10 IJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(-c3ccsc3)n2)cc1 105038829 WEPBKGPWLONRMF-LJQANCHMSA-N 427.595 4.759 10 10 IJCE CCN(C)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 109696515 ZMBUSBMNPLSUGN-UHFFFAOYSA-N 441.528 4.643 10 10 IJCE CC(C)(C)OC(=O)NCCOc1cccc(NCc2cccc(Br)c2O)c1 393436907 YSVZNJRAYJUVKQ-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC(=O)N(c1ccc(NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)cc1)C1CC1 579762591 RRFAVUKWFRTRFD-UHFFFAOYSA-N 444.579 4.562 10 10 IJCE CC(C)(C)OC(=O)Nc1cccc(OCCNCc2ccc(Br)cc2O)c1 691396668 VMLCHPGNZVSMKZ-UHFFFAOYSA-N 437.334 4.670 10 10 IJCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNCc2cc(Cl)cc(Br)c2O)C1 708072375 GRLAITLQDPKIIA-FZMZJTMJSA-N 433.774 4.591 10 10 IJCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNCc1cc(Cl)cc(Br)c1O 721111060 DFUGPGSNIBNXKD-OLZOCXBDSA-N 447.801 4.791 10 10 IJCE CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 1136443296 YCBDUOARRNLVDZ-LJQANCHMSA-N 443.547 4.960 10 10 IJCE CC(=O)c1cc(F)cc(CN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c1O 1170535879 IXRGPOKZHMJSRP-XMMPIXPASA-N 426.576 4.899 10 10 IJCE Brc1cc(CNC2CCN(c3ccncc3)CC2)ccc1N1CCCCC1 1474297361 YWDCMGPVWPNZTB-UHFFFAOYSA-N 429.406 4.593 10 10 IJCE CC(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 1672137977 ZQDPBCIADJAQOR-KRWDZBQOSA-N 427.976 4.821 10 10 IJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)ccc1O 1865675352 CPVLCRLIQIDRRI-UYRXBGFRSA-N 449.304 4.998 10 10 IJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(F)cc3[nH]2)sc(C)c1-c1ccccc1 1866482539 DIZZECHAEOHPSR-UHFFFAOYSA-N 436.464 4.743 10 10 IJCE CCN1CCc2cc([C@@H](N)C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2044755047 SQXFWJXYNMZXSI-GOTSBHOMSA-N 439.600 4.569 10 10 IJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2079040968 PXRAOKWMYKAHGB-INIZCTEOSA-N 439.341 4.771 10 10 IJCE COc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2079998295 PBIRJJGKXKYONY-MRXNPFEDSA-N 425.323 4.817 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1ccc(Br)cc1O 2127870220 XICCZUSPIMCKMM-QGZVFWFLSA-N 427.383 4.670 10 10 IJCE C[C@]1(C2CC2)CN(c2ccc(CN)c(Br)c2F)CCN1Cc1ccccc1 2151082945 ZOTINDPLISTKEB-JOCHJYFZSA-N 432.381 4.538 10 10 IJCE OC[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1 2240044737 VJEKNHPXDLCXAP-HSZRJFAPSA-N 429.402 4.869 10 10 IJCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 2243914648 DAAVXFDDRDWNOL-SFHVURJKSA-N 447.539 4.854 10 10 IJCE CC1=NN(c2cccc(C)c2)C(=O)C1=Cc1ccccc1OCC(=O)Nc1ccccc1 2297109537 DUGYMTGJYYGZJU-UHFFFAOYSA-N 425.488 4.819 10 10 IJCE CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc(Br)cc(OC)c1O 2332124655 ANXPNMVOSCYGFA-UHFFFAOYSA-N 443.341 4.972 10 10 IJCE Cc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(O)c1Br 2380746126 MNVHKDVHXKQUOF-UHFFFAOYSA-N 435.318 4.740 10 10 IJCE Cc1ccc(CNCc2ccccc2CNC(=O)OC(C)(C)C)c(O)c1Br 2380811985 QJNRRVWAGOHPFG-UHFFFAOYSA-N 435.362 4.778 10 10 IJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1ccco1 33333830 WXGULRCQGBOTRD-RELWKKBWSA-N 429.545 4.657 10 10 IJCE Cc1cccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)c1 40846756 XDNSRUDYWDBRBJ-WQLSENKSSA-N 427.288 4.598 10 10 IJCE Cc1ccc(OCCCn2cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c3ccccc32)cc1 59087090 XGTHCELUFJOONZ-XSFVSMFZSA-N 433.533 4.516 10 10 IJCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 745883055 YWEIBNGCWOEZDF-QFIPXVFZSA-N 440.588 4.550 10 10 IJCE C[C@@H](C[C@H](Cc1ccc(N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1848350666 MFESDYBJHQTVTK-FXAWDEMLSA-N 444.531 4.829 10 10 IJCE Nc1ccc(Cc2ccc(NC(=O)c3ccccc3I)cc2)cc1 1865870633 BTPQWHMNSAJVFL-UHFFFAOYSA-N 428.273 4.717 10 10 IJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)OCc3ccccc3)cc2)SC1=S 1871285354 AEIWRXSQYWHYTH-UDWIEESQSA-N 441.574 4.666 10 10 IJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Oc2ccccc2)cc1 1892072354 GSCPHSYEDDYRLG-UNMCSNQZSA-N 434.561 4.946 10 10 IJCE O=C1Nc2cc(N(Cc3ccccc3)Cc3cccs3)c(Br)cc2[C@H]1O 1914841495 DCYKVIDSUNLMKT-LJQANCHMSA-N 429.339 4.703 10 10 IJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1984694845 MYCZFMKTMPXUDI-GAJHUEQPSA-N 447.539 4.851 10 10 IJCE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1cc(Br)cc(F)c1O 2184321845 UPBAJSBOMBRFRF-INIZCTEOSA-N 445.373 4.809 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 2294623638 LSSLTFXYNOUWOW-UHFFFAOYSA-N 439.917 4.911 10 10 IJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S)Nc1cccnc1 2296879892 IIVJJTSEDXDUDH-UHFFFAOYSA-N 438.361 4.618 10 10 IJCE COc1cc(C=C2SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C 2313610184 UKQLVUKLHZBMSJ-UHFFFAOYSA-N 430.507 4.796 10 10 IJCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl 2313682520 DZZTYLBSNTYVRN-UHFFFAOYSA-N 448.306 4.654 10 10 IJCE CCOC(=O)CCCN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S 2314741032 SUTPOTSBIVZQNK-UHFFFAOYSA-N 441.574 4.810 10 10 IJCE Cc1ccc(CNC[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)c(O)c1Br 2381132134 WUJYQIYCVYPBEB-MRXNPFEDSA-N 441.410 4.978 10 10 IJCE